3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide

C18H26N2O3 — CID 75422339

IUPAC3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide
SMILESCc1cc(C(=O)NC2CCCOC2)ccc1NC(=O)CC(C)C
InChIInChI=1S/C18H26N2O3/c1-12(2)9-17(21)20-16-7-6-14(10-13(16)3)18(22)19-15-5-4-8-23-11-15/h6-7,10,12,15H,4-5,8-9,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyNNSLLRZHRPLPGT-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.89
Rot. Bonds5

About 3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide

3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide (PubChem CID 75422339) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide.

Molecular Properties

Compound Name3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide
PubChem CID75422339
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide
SMILESCc1cc(C(=O)NC2CCCOC2)ccc1NC(=O)CC(C)C
InChIInChI=1S/C18H26N2O3/c1-12(2)9-17(21)20-16-7-6-14(10-13(16)3)18(22)19-15-5-4-8-23-11-15/h6-7,10,12,15H,4-5,8-9,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyNNSLLRZHRPLPGT-UHFFFAOYSA-N
XLogP2.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide 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-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 119621175
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119621174
N-[(2-hydroxycyclopentyl)methyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 111471383
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
4-(4-aminobutanoylamino)-N-cyclohexyl-3-methylbenzamide
CID 119283103
4-(4-aminobutanoylamino)-N-cyclopentyl-3-methylbenzamide;hydrochloride
CID 119305977
3-methyl-N-[2-(methylamino)ethyl]-4-(3-methylbutanoylamino)benzamide
CID 119503824
N-cyclohexyl-3-methyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119711987
(2R)-2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 119244295
3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride
CID 119493105
N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide
CID 55878660
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide?
The IUPAC name of 3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide (CID 75422339) is 3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide.
What is the SMILES notation for 3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide?
The canonical SMILES for 3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide is Cc1cc(C(=O)NC2CCCOC2)ccc1NC(=O)CC(C)C.
What is the InChIKey of 3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide?
The InChIKey is NNSLLRZHRPLPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12(2)9-17(21)20-16-7-6-14(10-13(16)3)18(22)19-15-5-4-8-23-11-15/h6-7,10,12,15H,4-5,8-9,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide?
3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide is sourced from PubChem (CID 75422339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).