(2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide

C24H29N3O3 — CID 51071366

IUPAC(2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
SMILESCC(=O)NCCCNC(=O)[C@@H]1CCCN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O3/c1-18(28)25-15-9-16-26-23(29)21-14-8-17-27(21)24(30)22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,21-22H,8-9,14-17H2,1H3,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyFNSHDXGALMWJES-NRFANRHFSA-N
MW407.51 g/mol
LogP2.45
Rot. Bonds8

About (2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide

(2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide (PubChem CID 51071366) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
PubChem CID51071366
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
SMILESCC(=O)NCCCNC(=O)[C@@H]1CCCN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O3/c1-18(28)25-15-9-16-26-23(29)21-14-8-17-27(21)24(30)22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,21-22H,8-9,14-17H2,1H3,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyFNSHDXGALMWJES-NRFANRHFSA-N
XLogP2.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.45
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-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
CID 51071464
1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone
CID 155052755
N-(3-benzylsulfonylpropyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 87037014
tert-butyl N-[4-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]butyl]carbamate
CID 70059423
N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
CID 110625860
(2S)-N-(3-benzamidopropyl)-1-(3-chloropropanoyl)pyrrolidine-2-carboxamide
CID 51071313
1-N-butyl-2-N-(1-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 42702590
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
1-acetyl-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 86911818
N-[4-oxo-4-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]butyl]-2,2-diphenylacetamide
CID 59940953
methyl 4-[[(2S)-1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]piperidine-2-carbonyl]amino]butanoate
CID 142641995
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide (CID 51071366) is (2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide is CC(=O)NCCCNC(=O)[C@@H]1CCCN1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide?
The InChIKey is FNSHDXGALMWJES-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18(28)25-15-9-16-26-23(29)21-14-8-17-27(21)24(30)22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,21-22H,8-9,14-17H2,1H3,(H,25,28)(H,26,29)/t21-/m0/s1.
What are the key properties of (2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 51071366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).