N-(1-adamantyl)-3-amino-2-methylbutanamide

C15H26N2O — CID 113416044

IUPACN-(1-adamantyl)-3-amino-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/c1-9(10(2)16)14(18)17-15-6-11-3-12(7-15)5-13(4-11)8-15/h9-13H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyBMMZTLVBMUUNMU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.05
Rot. Bonds3

About N-(1-adamantyl)-3-amino-2-methylbutanamide

N-(1-adamantyl)-3-amino-2-methylbutanamide (PubChem CID 113416044) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(1-adamantyl)-3-amino-2-methylbutanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-amino-2-methylbutanamide
PubChem CID113416044
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(1-adamantyl)-3-amino-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26N2O/c1-9(10(2)16)14(18)17-15-6-11-3-12(7-15)5-13(4-11)8-15/h9-13H,3-8,16H2,1-2H3,(H,17,18)
InChIKeyBMMZTLVBMUUNMU-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-adamantyl)-3-amino-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(1-adamantyl)-2-aminopropanamide;hydrochloride
CID 119261551
4-(1-adamantylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 22090292
N-(1-adamantyl)-4-amino-2-methylbutanamide
CID 80541317
1-(1-adamantyl)-3-(2-aminopropyl)urea
CID 63731476
N-(1-adamantyl)-2-[(2-amino-2-oxoethyl)-methylamino]propanamide
CID 75361457
(2S)-N-(1-adamantyl)-2-[formyl(methyl)amino]-3-methylbutanamide
CID 134831249
(2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 7816486
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 8818642
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 8020130
1-N,4-N-bis(1-adamantyl)bicyclo[2.2.2]octane-1,4-dicarboxamide
CID 171722423
(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid
CID 122459701
1-(1-adamantyl)-3-(dimethyl-λ4-sulfanylidene)urea
CID 176801954

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-amino-2-methylbutanamide?
The IUPAC name of N-(1-adamantyl)-3-amino-2-methylbutanamide (CID 113416044) is N-(1-adamantyl)-3-amino-2-methylbutanamide.
What is the SMILES notation for N-(1-adamantyl)-3-amino-2-methylbutanamide?
The canonical SMILES for N-(1-adamantyl)-3-amino-2-methylbutanamide is CC(N)C(C)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-3-amino-2-methylbutanamide?
The InChIKey is BMMZTLVBMUUNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-9(10(2)16)14(18)17-15-6-11-3-12(7-15)5-13(4-11)8-15/h9-13H,3-8,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-adamantyl)-3-amino-2-methylbutanamide?
N-(1-adamantyl)-3-amino-2-methylbutanamide has a molecular weight of 250.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-amino-2-methylbutanamide is sourced from PubChem (CID 113416044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).