N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide

C25H34N2O2 — CID 54755819

IUPACN-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C25H34N2O2/c1-24(2,27-23(29)25(8-9-25)20-6-4-3-5-7-20)15-21(28)26-22-18-11-16-10-17(13-18)14-19(22)12-16/h3-7,16-19,22H,8-15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyMLKFCKSGCZAWNM-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.94
Rot. Bonds6

About N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide

N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 54755819) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID54755819
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC NameN-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C25H34N2O2/c1-24(2,27-23(29)25(8-9-25)20-6-4-3-5-7-20)15-21(28)26-22-18-11-16-10-17(13-18)14-19(22)12-16/h3-7,16-19,22H,8-15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyMLKFCKSGCZAWNM-UHFFFAOYSA-N
XLogP3.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-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-(1-bromo-2-methylpropan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 114308184
N-(1-hydroxy-2-methylpropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 43500661
(3S,5R)-4-[(1-phenylcyclopropanecarbonyl)amino]adamantane-1-carboxamide
CID 11624224
N-(1-amino-3-methylpentan-3-yl)-1-phenylcyclopropane-1-carboxamide
CID 106164789
N-[3-(aminomethyl)pentan-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 63765721
4-[[3-methyl-3-[(2-methylphenyl)sulfonylamino]butanoyl]amino]adamantane-1-carboxamide
CID 54756171
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 110476181
N-(2-adamantyl)-2-methyl-2-(2-methylphenyl)propanamide
CID 59658227
N-(2-adamantyl)-3-methylbutanamide
CID 959856
(3R,5S)-4-[[1-(4-methylphenyl)cyclopropanecarbonyl]amino]adamantane-1-carboxylic acid
CID 11537663
N-(2-adamantyl)-3-oxobutanamide
CID 879553
1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 55962295

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide (CID 54755819) is N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide is CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is MLKFCKSGCZAWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-24(2,27-23(29)25(8-9-25)20-6-4-3-5-7-20)15-21(28)26-22-18-11-16-10-17(13-18)14-19(22)12-16/h3-7,16-19,22H,8-15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide?
N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-adamantylamino)-2-methyl-4-oxobutan-2-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 54755819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).