(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

C20H28N2O2 — CID 95190248

IUPAC(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C20H28N2O2/c23-19(15-16-9-4-3-5-10-16)22-14-8-13-18(22)20(24)21-17-11-6-1-2-7-12-17/h3-5,9-10,17-18H,1-2,6-8,11-15H2,(H,21,24)/t18-/m1/s1
InChIKeyZVRUFKMFZRKBHV-GOSISDBHSA-N
MW328.46 g/mol
LogP3.06
Rot. Bonds4

About (2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide

(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 95190248) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
PubChem CID95190248
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCCC1)[C@H]1CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C20H28N2O2/c23-19(15-16-9-4-3-5-10-16)22-14-8-13-18(22)20(24)21-17-11-6-1-2-7-12-17/h3-5,9-10,17-18H,1-2,6-8,11-15H2,(H,21,24)/t18-/m1/s1
InChIKeyZVRUFKMFZRKBHV-GOSISDBHSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
N-(1-cyclopropylpiperidin-4-yl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47881551
methyl 4-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 47897958
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 89035815
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-cyclopropyl-1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carboxamide
CID 86924365
phenyl 2-(cyclohexylcarbamoyl)pyrrolidine-1-carboxylate
CID 3112487
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide (CID 95190248) is (2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is O=C(NC1CCCCCC1)[C@H]1CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of (2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is ZVRUFKMFZRKBHV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19(15-16-9-4-3-5-10-16)22-14-8-13-18(22)20(24)21-17-11-6-1-2-7-12-17/h3-5,9-10,17-18H,1-2,6-8,11-15H2,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide?
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 95190248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).