N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide

C18H32N2O — CID 65269663

IUPACN-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide
SMILESCN(C(=O)C(C)(C)C(C)(C)N)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H32N2O/c1-17(2,18(3,4)19)16(21)20(5)15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,6-10,19H2,1-5H3
InChIKeyUCICMOHNMBSPTE-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.03
Rot. Bonds3

About N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide

N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide (PubChem CID 65269663) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide
PubChem CID65269663
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide
SMILESCN(C(=O)C(C)(C)C(C)(C)N)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H32N2O/c1-17(2,18(3,4)19)16(21)20(5)15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,6-10,19H2,1-5H3
InChIKeyUCICMOHNMBSPTE-UHFFFAOYSA-N
XLogP3.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide?
The IUPAC name of N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide (CID 65269663) is N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide.
What is the SMILES notation for N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide?
The canonical SMILES for N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide is CN(C(=O)C(C)(C)C(C)(C)N)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide?
The InChIKey is UCICMOHNMBSPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-17(2,18(3,4)19)16(21)20(5)15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,6-10,19H2,1-5H3.
What are the key properties of N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide?
N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide has a molecular weight of 292.47 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-amino-N,2,2,3-tetramethylbutanamide is sourced from PubChem (CID 65269663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).