(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide

C19H27N3O — CID 98203455

IUPAC(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide
SMILESC[C@@H](CCNC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1
InChIInChI=1S/C19H27N3O/c1-16(17-7-3-2-4-8-17)9-11-20-19(23)22-14-10-18(15-22)21-12-5-6-13-21/h2-8,16,18H,9-15H2,1H3,(H,20,23)/t16-,18+/m0/s1
InChIKeyXJGUOILTVZHYGI-FUHWJXTLSA-N
MW313.44 g/mol
LogP2.84
Rot. Bonds5

About (3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide

(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide (PubChem CID 98203455) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is (3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide
PubChem CID98203455
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide
SMILESC[C@@H](CCNC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1
InChIInChI=1S/C19H27N3O/c1-16(17-7-3-2-4-8-17)9-11-20-19(23)22-14-10-18(15-22)21-12-5-6-13-21/h2-8,16,18H,9-15H2,1H3,(H,20,23)/t16-,18+/m0/s1
InChIKeyXJGUOILTVZHYGI-FUHWJXTLSA-N
XLogP2.84
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Benzylimidazolidin-2-one
CID 231403
1-Methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(3-phenyl-propyl)-pyrrolidinium
CID 16125331
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
4-Phenylimidazolidin-2-one
CID 322644
CID 31899116
CID 31899116
1-(3-Methylbenzyl)imidazolidin-2-one
CID 3236942
1-(2-Methylbenzyl)imidazolidin-2-one
CID 3241808
(R)-3-(1-benzyl-pyrrolidin-3-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125223
1,1-Dimethyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-pyrrolidinium
CID 16125325
(S)-3-(1-benzyl-pyrrolidin-3-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125371
1-Benzyl-1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-pyrrolidinium
CID 16125529
1-Butan-2-yl-3-(3-phenylpropyl)urea
CID 45366530

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide (CID 98203455) is (3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide is C[C@@H](CCNC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1.
What is the InChIKey of (3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide?
The InChIKey is XJGUOILTVZHYGI-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H27N3O/c1-16(17-7-3-2-4-8-17)9-11-20-19(23)22-14-10-18(15-22)21-12-5-6-13-21/h2-8,16,18H,9-15H2,1H3,(H,20,23)/t16-,18+/m0/s1.
What are the key properties of (3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide?
(3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,5-dihydropyrrol-1-yl)-N-[(3S)-3-phenylbutyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 98203455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).