(2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide

C23H27N3O2 — CID 72890005

IUPAC(2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCN1C[C@@H](NC(=O)c2ccccc2-c2ccccc2)C[C@H]1C(=O)NCC
InChIInChI=1S/C23H27N3O2/c1-3-14-26-16-18(15-21(26)23(28)24-4-2)25-22(27)20-13-9-8-12-19(20)17-10-6-5-7-11-17/h3,5-13,18,21H,1,4,14-16H2,2H3,(H,24,28)(H,25,27)/t18-,21-/m0/s1
InChIKeyJIZATTHTGVMIFV-RXVVDRJESA-N
MW377.49 g/mol
LogP2.85
Rot. Bonds7

About (2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide

(2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide (PubChem CID 72890005) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide
PubChem CID72890005
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide
SMILESC=CCN1C[C@@H](NC(=O)c2ccccc2-c2ccccc2)C[C@H]1C(=O)NCC
InChIInChI=1S/C23H27N3O2/c1-3-14-26-16-18(15-21(26)23(28)24-4-2)25-22(27)20-13-9-8-12-19(20)17-10-6-5-7-11-17/h3,5-13,18,21H,1,4,14-16H2,2H3,(H,24,28)(H,25,27)/t18-,21-/m0/s1
InChIKeyJIZATTHTGVMIFV-RXVVDRJESA-N
XLogP2.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-N-ethyl-1-(3-methylbut-2-enyl)-4-[(4-propylbenzoyl)amino]pyrrolidine-2-carboxamide
CID 72865853
methyl (2S,4R)-1-[(4-ethoxyphenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidine-2-carboxylate
CID 42366473
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 72920956
(2S,4R)-N-ethyl-4-[(3-hydroxy-4-methylbenzoyl)amino]-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxamide
CID 72907895
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 72883115
methyl (2S,4R)-4-[(2-phenylbenzoyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 42190962
N-[(3R,5S)-5-(ethylcarbamoyl)-1-(2-phenylethyl)pyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 72907535
methyl (2S,4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidine-2-carboxylate
CID 26347300
methyl (2S,4R)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidine-2-carboxylate
CID 26331398
N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide
CID 156607252
N-ethyl-4-[[3-(3-fluorophenyl)benzoyl]amino]-1-methylpyrrolidine-2-carboxamide
CID 156607245
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 72935005

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide (CID 72890005) is (2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide is C=CCN1C[C@@H](NC(=O)c2ccccc2-c2ccccc2)C[C@H]1C(=O)NCC.
What is the InChIKey of (2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide?
The InChIKey is JIZATTHTGVMIFV-RXVVDRJESA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-14-26-16-18(15-21(26)23(28)24-4-2)25-22(27)20-13-9-8-12-19(20)17-10-6-5-7-11-17/h3,5-13,18,21H,1,4,14-16H2,2H3,(H,24,28)(H,25,27)/t18-,21-/m0/s1.
What are the key properties of (2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide?
(2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-ethyl-4-[(2-phenylbenzoyl)amino]-1-prop-2-enylpyrrolidine-2-carboxamide is sourced from PubChem (CID 72890005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).