N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

C20H30N2O4 — CID 99794728

IUPACN-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H](C(=O)N(C)C2CCCC2)C(C)C)c1
InChIInChI=1S/C20H30N2O4/c1-13(2)18(20(24)22(3)15-8-6-7-9-15)21-19(23)14-10-16(25-4)12-17(11-14)26-5/h10-13,15,18H,6-9H2,1-5H3,(H,21,23)/t18-/m0/s1
InChIKeyQCUPNDRHNVJKAY-SFHVURJKSA-N
MW362.47 g/mol
LogP2.86
Rot. Bonds7

About N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide (PubChem CID 99794728) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
PubChem CID99794728
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)N[C@H](C(=O)N(C)C2CCCC2)C(C)C)c1
InChIInChI=1S/C20H30N2O4/c1-13(2)18(20(24)22(3)15-8-6-7-9-15)21-19(23)14-10-16(25-4)12-17(11-14)26-5/h10-13,15,18H,6-9H2,1-5H3,(H,21,23)/t18-/m0/s1
InChIKeyQCUPNDRHNVJKAY-SFHVURJKSA-N
XLogP2.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51268308
N-[(2R)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 99794724
2-[[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119359079
N-[1-[benzyl(cyclopropyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 112812559
[(2S)-1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 7899467
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540
4-methoxy-N-[3-methyl-1-[methyl(pyrrolidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 119551898
3,5-dimethoxy-N-[(2S)-3-methyl-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 33235124
N-[1-(3,4-difluoro-N-methylanilino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 60576358
(4-methoxyphenyl)methyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 16577363
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 119375717
N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 87023576

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide (CID 99794728) is N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N[C@H](C(=O)N(C)C2CCCC2)C(C)C)c1.
What is the InChIKey of N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is QCUPNDRHNVJKAY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-13(2)18(20(24)22(3)15-8-6-7-9-15)21-19(23)14-10-16(25-4)12-17(11-14)26-5/h10-13,15,18H,6-9H2,1-5H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 362.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 99794728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).