3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide

C24H30N2O3 — CID 91300009

IUPAC3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2cc(NCC(=O)C3CCCC3)cc(C(=O)N[C@@H](C)CO)c2)cc1
InChIInChI=1S/C24H30N2O3/c1-16-7-9-18(10-8-16)20-11-21(24(29)26-17(2)15-27)13-22(12-20)25-14-23(28)19-5-3-4-6-19/h7-13,17,19,25,27H,3-6,14-15H2,1-2H3,(H,26,29)/t17-/m0/s1
InChIKeyWNQGASAEZBTQKE-KRWDZBQOSA-N
MW394.52 g/mol
LogP3.94
Rot. Bonds8

About 3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide

3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide (PubChem CID 91300009) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide
PubChem CID91300009
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2cc(NCC(=O)C3CCCC3)cc(C(=O)N[C@@H](C)CO)c2)cc1
InChIInChI=1S/C24H30N2O3/c1-16-7-9-18(10-8-16)20-11-21(24(29)26-17(2)15-27)13-22(12-20)25-14-23(28)19-5-3-4-6-19/h7-13,17,19,25,27H,3-6,14-15H2,1-2H3,(H,26,29)/t17-/m0/s1
InChIKeyWNQGASAEZBTQKE-KRWDZBQOSA-N
XLogP3.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclohexyl-2-oxoethyl)amino]-5-(4-methylphenyl)-N-(1-pyrazin-2-ylethyl)benzamide
CID 91016091
3-cyclopentylsulfonyl-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide
CID 58188299
N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide
CID 67511647
3-(cyclohexanecarbonylamino)-N-(1-hydroxypropan-2-yl)benzamide
CID 78866259
N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide
CID 97329344
N-(1-hydroxypropan-2-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 78856434
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
3-iodo-N-[(2S)-1-methoxypropan-2-yl]-5-(4-methylphenyl)benzamide
CID 124560386
3-[5-[(1S)-1-(dimethylamino)ethyl]-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(4-methylphenyl)benzamide
CID 91196234
N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide
CID 90759463
N-butan-2-yl-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54835244
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide?
The IUPAC name of 3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide (CID 91300009) is 3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide?
The canonical SMILES for 3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide is Cc1ccc(-c2cc(NCC(=O)C3CCCC3)cc(C(=O)N[C@@H](C)CO)c2)cc1.
What is the InChIKey of 3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide?
The InChIKey is WNQGASAEZBTQKE-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16-7-9-18(10-8-16)20-11-21(24(29)26-17(2)15-27)13-22(12-20)25-14-23(28)19-5-3-4-6-19/h7-13,17,19,25,27H,3-6,14-15H2,1-2H3,(H,26,29)/t17-/m0/s1.
What are the key properties of 3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide?
3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide has a molecular weight of 394.52 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentyl-2-oxoethyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-5-(4-methylphenyl)benzamide is sourced from PubChem (CID 91300009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).