N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

C20H34N2O2 — CID 51175307

IUPACN-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCCC(C)NC(=O)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C
InChIInChI=1S/C20H34N2O2/c1-5-13(4)21-18(23)17(12(2)3)22-19(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h12-17H,5-11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyYOIHONUWQLYHAR-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.26
Rot. Bonds6

About N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide

N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide (PubChem CID 51175307) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
PubChem CID51175307
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC NameN-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
SMILESCCC(C)NC(=O)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C
InChIInChI=1S/C20H34N2O2/c1-5-13(4)21-18(23)17(12(2)3)22-19(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h12-17H,5-11H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyYOIHONUWQLYHAR-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide 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

N-[(3S)-2-oxoazepan-3-yl]adamantane-1-carboxamide
CID 11659300
Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
N-[(3R)-2-oxoazepan-3-yl]adamantane-1-carboxamide
CID 44157844
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-methylacetamide
CID 23645895
(alphaS)-alpha-Amino-N-(cyanomethyl)-N-ethyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 23645896
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-cyclopropylacetamide
CID 23645899
(2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
CID 23645892
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-propylacetamide
CID 23645897
2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 11551248
N-{1-(1-adamantyl)-2-[(2-methoxyethyl)amino]-2-oxoethyl}cyclohexanecarboxamide
CID 2960871
1-[2-(Adamantane-1-carbonylamino)acetyl]piperidine-3-carboxamide
CID 4782419

Frequently Asked Questions

What is the IUPAC name of N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide (CID 51175307) is N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide is CCC(C)NC(=O)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C.
What is the InChIKey of N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
The InChIKey is YOIHONUWQLYHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-5-13(4)21-18(23)17(12(2)3)22-19(24)20-9-14-6-15(10-20)8-16(7-14)11-20/h12-17H,5-11H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide?
N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide has a molecular weight of 334.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butan-2-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 51175307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).