N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate — IUPAC name, SMILES, InChIKey & properties

Name: N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate

N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate (PubChem CID 158459493) has the molecular formula C100H149N5O9 and a molecular weight of 1565.32 g/mol. Its IUPAC name is N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate.

Molecular Properties

Compound Name	N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
PubChem CID	158459493
Molecular Formula	C100H149N5O9
Molecular Weight	1565.32 g/mol
Exact Mass	1564.14
IUPAC Name	N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
SMILES	C=C(C)C(=O)N(CC)C1C2CC3CC(C2)CC1C3.C=C(C)C(=O)NC1C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1CC2CC1C1CCCCC21.C=CC(=O)N(C)C1C2CC3CC(C2)CC1C3.C=CC(=O)NC1C2CC3CC(C2)CC1C3.C=CC(=O)NC1CC2CC1C1CCCCC21.C=CC(=O)OC1CC2CC1C1CCCCC21
InChI	InChI=1S/C16H25NO.C15H22O2.3C14H21NO.C14H20O2.C13H19NO/c1-4-17(16(18)10(2)3)15-13-6-11-5-12(8-13)9-14(15)7-11;1-9(2)15(16)17-14-8-10-7-13(14)12-6-4-3-5-11(10)12;1-8(2)14(16)15-13-11-4-9-3-10(6-11)7-12(13)5-9;1-3-13(16)15(2)14-11-5-9-4-10(7-11)8-12(14)6-9;1-2-14(16)15-13-8-9-7-12(13)11-6-4-3-5-10(9)11;1-2-14(15)16-13-8-9-7-12(13)11-6-4-3-5-10(9)11;1-2-12(15)14-13-10-4-8-3-9(6-10)7-11(13)5-8/h11-15H,2,4-9H2,1,3H3;10-14H,1,3-8H2,2H3;9-13H,1,3-7H2,2H3,(H,15,16);3,9-12,14H,1,4-8H2,2H3;2,9-13H,1,3-8H2,(H,15,16);2,9-13H,1,3-8H2;2,8-11,13H,1,3-7H2,(H,14,15)
InChIKey	HEZJGGJOKSIMQF-UHFFFAOYSA-N
XLogP	19.06
TPSA	180.52 Å²
H-Bond Donors	3
H-Bond Acceptors	9
Rotatable Bonds	15
Heavy Atoms	114
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1565.32
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate?

The IUPAC name of N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate (CID 158459493) is N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate.

What is the SMILES notation for N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate?

The canonical SMILES for N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate is C=C(C)C(=O)N(CC)C1C2CC3CC(C2)CC1C3.C=C(C)C(=O)NC1C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1CC2CC1C1CCCCC21.C=CC(=O)N(C)C1C2CC3CC(C2)CC1C3.C=CC(=O)NC1C2CC3CC(C2)CC1C3.C=CC(=O)NC1CC2CC1C1CCCCC21.C=CC(=O)OC1CC2CC1C1CCCCC21.

What is the InChIKey of N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate?

The InChIKey is HEZJGGJOKSIMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.C15H22O2.3C14H21NO.C14H20O2.C13H19NO/c1-4-17(16(18)10(2)3)15-13-6-11-5-12(8-13)9-14(15)7-11;1-9(2)15(16)17-14-8-10-7-13(14)12-6-4-3-5-11(10)12;1-8(2)14(16)15-13-11-4-9-3-10(6-11)7-12(13)5-9;1-3-13(16)15(2)14-11-5-9-4-10(7-11)8-12(14)6-9;1-2-14(16)15-13-8-9-7-12(13)11-6-4-3-5-10(9)11;1-2-14(15)16-13-8-9-7-12(13)11-6-4-3-5-10(9)11;1-2-12(15)14-13-10-4-8-3-9(6-10)7-11(13)5-8/h11-15H,2,4-9H2,1,3H3;10-14H,1,3-8H2,2H3;9-13H,1,3-7H2,2H3,(H,15,16);3,9-12,14H,1,4-8H2,2H3;2,9-13H,1,3-8H2,(H,15,16);2,9-13H,1,3-8H2;2,8-11,13H,1,3-7H2,(H,14,15).

What are the key properties of N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate?

Where does this data come from?

All data for N-(2-adamantyl)-N-ethyl-2-methylprop-2-enamide;N-(2-adamantyl)-N-methylprop-2-enamide;N-(2-adamantyl)-2-methylprop-2-enamide;N-(2-adamantyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl 2-methylprop-2-enoate;N-(9-tricyclo[6.2.1.02,7]undecanyl)prop-2-enamide;9-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate is sourced from PubChem (CID 158459493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).