(3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide

C20H29N3O2 — CID 70753721

IUPAC(3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCC(=O)N[C@@H]1CN(C(=O)NC2CCCCC2)C[C@H]1c1ccc(C)cc1
InChIInChI=1S/C20H29N3O2/c1-14-8-10-16(11-9-14)18-12-23(13-19(18)21-15(2)24)20(25)22-17-6-4-3-5-7-17/h8-11,17-19H,3-7,12-13H2,1-2H3,(H,21,24)(H,22,25)/t18-,19+/m0/s1
InChIKeyXDIPTTQRJYYQHF-RBUKOAKNSA-N
MW343.47 g/mol
LogP2.94
Rot. Bonds3

About (3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide

(3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 70753721) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID70753721
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCC(=O)N[C@@H]1CN(C(=O)NC2CCCCC2)C[C@H]1c1ccc(C)cc1
InChIInChI=1S/C20H29N3O2/c1-14-8-10-16(11-9-14)18-12-23(13-19(18)21-15(2)24)20(25)22-17-6-4-3-5-7-17/h8-11,17-19H,3-7,12-13H2,1-2H3,(H,21,24)(H,22,25)/t18-,19+/m0/s1
InChIKeyXDIPTTQRJYYQHF-RBUKOAKNSA-N
XLogP2.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-(4-methylphenyl)morpholine-4-carboxamide
CID 121134941
N-[(3S,4R)-4-(4-methylphenyl)-1-(2-pyridin-2-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide
CID 70739524
N-[(3R,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 164630799
N-[(3S,4R)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70735467
N-[(3S,4R)-1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70771739
N-[1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 78086979
N-cyclohexyl-5,5-dimethyl-2-(4-methylphenyl)morpholine-4-carboxamide
CID 110327448
N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70746461
N-[(3R,4S)-4-(4-methylphenyl)-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 164631404
2-[(3S,4R)-3-acetamido-4-(4-methylphenyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 70772022
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
N-[(3S,4R)-4-(4-methylphenyl)-1-(2-propyl-1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]acetamide
CID 70722373

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 70753721) is (3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide is CC(=O)N[C@@H]1CN(C(=O)NC2CCCCC2)C[C@H]1c1ccc(C)cc1.
What is the InChIKey of (3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is XDIPTTQRJYYQHF-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-8-10-16(11-9-14)18-12-23(13-19(18)21-15(2)24)20(25)22-17-6-4-3-5-7-17/h8-11,17-19H,3-7,12-13H2,1-2H3,(H,21,24)(H,22,25)/t18-,19+/m0/s1.
What are the key properties of (3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide?
(3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 70753721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).