N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

C20H30N2O3 — CID 111460318

IUPACN-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C(=O)NCC1CCCC(O)C1)C(C)C
InChIInChI=1S/C20H30N2O3/c1-13(2)18(22-19(24)17-10-5-4-7-14(17)3)20(25)21-12-15-8-6-9-16(23)11-15/h4-5,7,10,13,15-16,18,23H,6,8-9,11-12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyCCPNGDDCSWRMGO-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.42
Rot. Bonds6

About N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (PubChem CID 111460318) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
PubChem CID111460318
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C(=O)NCC1CCCC(O)C1)C(C)C
InChIInChI=1S/C20H30N2O3/c1-13(2)18(22-19(24)17-10-5-4-7-14(17)3)20(25)21-12-15-8-6-9-16(23)11-15/h4-5,7,10,13,15-16,18,23H,6,8-9,11-12H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyCCPNGDDCSWRMGO-UHFFFAOYSA-N
XLogP2.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide 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

2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 93144997
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
CID 106135106
N-[1-[[2-(aminomethyl)cyclopentyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide;hydrochloride
CID 119601989
2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221514
N-[1-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 119456473
N-[1-[(2-amino-1-cyclopropylethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 119614272
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
2-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]-3-methylbutanamide
CID 103282628
N-[1-[2-(4-chlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 84952247
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (CID 111460318) is N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(C(=O)NCC1CCCC(O)C1)C(C)C.
What is the InChIKey of N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The InChIKey is CCPNGDDCSWRMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13(2)18(22-19(24)17-10-5-4-7-14(17)3)20(25)21-12-15-8-6-9-16(23)11-15/h4-5,7,10,13,15-16,18,23H,6,8-9,11-12H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide has a molecular weight of 346.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-hydroxycyclohexyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 111460318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).