(3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C21H31N3O5 — CID 9373718

IUPAC(3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N([C@@H](C)COC)C1
InChIInChI=1S/C21H31N3O5/c1-4-29-11-7-10-22-21(27)17-8-5-6-9-18(17)23-20(26)16-12-19(25)24(13-16)15(2)14-28-3/h5-6,8-9,15-16H,4,7,10-14H2,1-3H3,(H,22,27)(H,23,26)/t15-,16+/m0/s1
InChIKeyJEPKLVBJXJOFJC-JKSUJKDBSA-N
MW405.50 g/mol
LogP1.66
Rot. Bonds11

About (3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9373718) has the molecular formula C21H31N3O5 and a molecular weight of 405.50 g/mol. Its IUPAC name is (3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9373718
Molecular FormulaC21H31N3O5
Molecular Weight405.50 g/mol
Exact Mass405.23
IUPAC Name(3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N([C@@H](C)COC)C1
InChIInChI=1S/C21H31N3O5/c1-4-29-11-7-10-22-21(27)17-8-5-6-9-18(17)23-20(26)16-12-19(25)24(13-16)15(2)14-28-3/h5-6,8-9,15-16H,4,7,10-14H2,1-3H3,(H,22,27)(H,23,26)/t15-,16+/m0/s1
InChIKeyJEPKLVBJXJOFJC-JKSUJKDBSA-N
XLogP1.66
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119957
(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373789
ethyl 2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9365051
1-cyclohexyl-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17312324
(3S)-N-(2-chlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365110
(3S)-N-(2-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365109
(3S)-N-(2-bromophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365320
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365348
(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9373650
N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118818
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904
(3R)-N-(2,3-dichlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365195

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 9373718) is (3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is CCOCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N([C@@H](C)COC)C1.
What is the InChIKey of (3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JEPKLVBJXJOFJC-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H31N3O5/c1-4-29-11-7-10-22-21(27)17-8-5-6-9-18(17)23-20(26)16-12-19(25)24(13-16)15(2)14-28-3/h5-6,8-9,15-16H,4,7,10-14H2,1-3H3,(H,22,27)(H,23,26)/t15-,16+/m0/s1.
What are the key properties of (3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 1.66, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9373718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).