(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide

C27H33N3O3 — CID 46105589

IUPAC(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCC(NC(=O)[C@H]2CCCN2C(=O)CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H33N3O3/c31-25(18-13-20-8-3-1-4-9-20)30-19-7-12-24(30)27(33)29-23-16-14-22(15-17-23)28-26(32)21-10-5-2-6-11-21/h1-6,8-11,22-24H,7,12-19H2,(H,28,32)(H,29,33)/t22?,23?,24-/m1/s1
InChIKeyRHVHGQWJNPGGQC-KXTRFFEISA-N
MW447.58 g/mol
LogP3.47
Rot. Bonds7

About (2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide

(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 46105589) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is (2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID46105589
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCC(NC(=O)[C@H]2CCCN2C(=O)CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C27H33N3O3/c31-25(18-13-20-8-3-1-4-9-20)30-19-7-12-24(30)27(33)29-23-16-14-22(15-17-23)28-26(32)21-10-5-2-6-11-21/h1-6,8-11,22-24H,7,12-19H2,(H,28,32)(H,29,33)/t22?,23?,24-/m1/s1
InChIKeyRHVHGQWJNPGGQC-KXTRFFEISA-N
XLogP3.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 51071444
(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720617
(2S)-N-(4-benzamidocyclohexyl)-1-octanoylpyrrolidine-2-carboxamide
CID 51071438
(2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720594
(2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 51071442
(2S)-N-[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 59140919
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
(2R)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 46105660
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
(2S)-1-dodecanoyl-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]pyrrolidine-2-carboxamide
CID 51071427

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide (CID 46105589) is (2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide is O=C(NC1CCC(NC(=O)[C@H]2CCCN2C(=O)CCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is RHVHGQWJNPGGQC-KXTRFFEISA-N. The full InChI is InChI=1S/C27H33N3O3/c31-25(18-13-20-8-3-1-4-9-20)30-19-7-12-24(30)27(33)29-23-16-14-22(15-17-23)28-26(32)21-10-5-2-6-11-21/h1-6,8-11,22-24H,7,12-19H2,(H,28,32)(H,29,33)/t22?,23?,24-/m1/s1.
What are the key properties of (2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide?
(2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-benzamidocyclohexyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 46105589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).