N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide

C16H28N2O3 — CID 134349452

IUPACN-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide
SMILESCC(C(O)C(=O)NCC1CCCCC1)N(C)C(=O)C1CC1
InChIInChI=1S/C16H28N2O3/c1-11(18(2)16(21)13-8-9-13)14(19)15(20)17-10-12-6-4-3-5-7-12/h11-14,19H,3-10H2,1-2H3,(H,17,20)
InChIKeyFCRKSSYXORYMGF-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.30
Rot. Bonds6

About N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide

N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide (PubChem CID 134349452) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide
PubChem CID134349452
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide
SMILESCC(C(O)C(=O)NCC1CCCCC1)N(C)C(=O)C1CC1
InChIInChI=1S/C16H28N2O3/c1-11(18(2)16(21)13-8-9-13)14(19)15(20)17-10-12-6-4-3-5-7-12/h11-14,19H,3-10H2,1-2H3,(H,17,20)
InChIKeyFCRKSSYXORYMGF-UHFFFAOYSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide 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-(cyclohexylmethyl)-2-hydroxy-3-[(2-methoxyacetyl)-methylamino]butanamide
CID 134349320
N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 134349292
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
3-amino-N-(cyclohexylmethyl)-2-hydroxypentanamide
CID 139329085
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
3-cyclohexyloxy-N-(cyclopentylmethyl)-2,3-dihydroxypropanamide
CID 134356264
N-(cyclohexylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]propanamide
CID 111462618
1-N,4-N-bis(cyclohexylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112814425
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913375

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide (CID 134349452) is N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide is CC(C(O)C(=O)NCC1CCCCC1)N(C)C(=O)C1CC1.
What is the InChIKey of N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is FCRKSSYXORYMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(18(2)16(21)13-8-9-13)14(19)15(20)17-10-12-6-4-3-5-7-12/h11-14,19H,3-10H2,1-2H3,(H,17,20).
What are the key properties of N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide?
N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclohexylmethylamino)-3-hydroxy-4-oxobutan-2-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 134349452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).