N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide

C19H30N2O2 — CID 58186232

IUPACN-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N(C)C1(C(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H30N2O2/c1-5-17(22)20-11-18(23)21(4)19(12(2)3)15-7-13-6-14(9-15)10-16(19)8-13/h5,12-16H,1,6-11H2,2-4H3,(H,20,22)
InChIKeyBDGWOQXZLBWYTG-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.60
Rot. Bonds5

About N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide

N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide (PubChem CID 58186232) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide
PubChem CID58186232
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)N(C)C1(C(C)C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H30N2O2/c1-5-17(22)20-11-18(23)21(4)19(12(2)3)15-7-13-6-14(9-15)10-16(19)8-13/h5,12-16H,1,6-11H2,2-4H3,(H,20,22)
InChIKeyBDGWOQXZLBWYTG-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide (CID 58186232) is N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)N(C)C1(C(C)C)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide?
The InChIKey is BDGWOQXZLBWYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-17(22)20-11-18(23)21(4)19(12(2)3)15-7-13-6-14(9-15)10-16(19)8-13/h5,12-16H,1,6-11H2,2-4H3,(H,20,22).
What are the key properties of N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide?
N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide has a molecular weight of 318.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-(2-propan-2-yl-2-adamantyl)amino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 58186232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).