(2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide

C28H29N3O3 — CID 51071464

IUPAC(2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCNC(=O)[C@@H]1CCCN1C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29N3O3/c32-26(23-15-8-3-9-16-23)29-18-19-30-27(33)24-17-10-20-31(24)28(34)25(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-9,11-16,24-25H,10,17-20H2,(H,29,32)(H,30,33)/t24-/m0/s1
InChIKeyMTGBAVYUCRBADW-DEOSSOPVSA-N
MW455.56 g/mol
LogP3.36
Rot. Bonds8

About (2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide

(2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 51071464) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is (2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
PubChem CID51071464
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name(2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCNC(=O)[C@@H]1CCCN1C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29N3O3/c32-26(23-15-8-3-9-16-23)29-18-19-30-27(33)24-17-10-20-31(24)28(34)25(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-9,11-16,24-25H,10,17-20H2,(H,29,32)(H,30,33)/t24-/m0/s1
InChIKeyMTGBAVYUCRBADW-DEOSSOPVSA-N
XLogP3.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
CID 51071366
N-[2-[(2R)-1-(2,2-diphenylacetyl)piperidin-2-yl]ethyl]benzamide
CID 129455068
(2R)-N-(2-benzamidoethyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720617
(2S)-1-benzoyl-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 39984741
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
(2S)-N-(2-benzamidoethyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 51066683
(2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide
CID 51071313
(2R)-N-(3-benzamidopropyl)-1-(3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 24720594
(2S)-1-[(2S)-2-benzamidopropanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 54309979
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
N-[2-[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 60584974
1-(2-benzamido-2-phenylacetyl)pyrrolidine-2-carboxylic acid
CID 22665693

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide (CID 51071464) is (2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide is O=C(NCCNC(=O)[C@@H]1CCCN1C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is MTGBAVYUCRBADW-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H29N3O3/c32-26(23-15-8-3-9-16-23)29-18-19-30-27(33)24-17-10-20-31(24)28(34)25(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-9,11-16,24-25H,10,17-20H2,(H,29,32)(H,30,33)/t24-/m0/s1.
What are the key properties of (2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51071464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).