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

C22H31N3O4 — CID 9373789

IUPAC(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C22H31N3O4/c1-15(14-29-2)25-13-16(12-20(25)26)21(27)24-19-11-7-6-10-18(19)22(28)23-17-8-4-3-5-9-17/h6-7,10-11,15-17H,3-5,8-9,12-14H2,1-2H3,(H,23,28)(H,24,27)/t15-,16-/m1/s1
InChIKeyVXAFZFFYOYQXPF-HZPDHXFCSA-N
MW401.51 g/mol
LogP2.57
Rot. Bonds7

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

(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9373789) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is (3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9373789
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C22H31N3O4/c1-15(14-29-2)25-13-16(12-20(25)26)21(27)24-19-11-7-6-10-18(19)22(28)23-17-8-4-3-5-9-17/h6-7,10-11,15-17H,3-5,8-9,12-14H2,1-2H3,(H,23,28)(H,24,27)/t15-,16-/m1/s1
InChIKeyVXAFZFFYOYQXPF-HZPDHXFCSA-N
XLogP2.57
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 7477639
(3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373718
(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
ethyl 2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9365051
(3S)-N-(2-bromophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365320
(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9373650
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365348
(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
(3S)-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 992776
(3R)-1-butyl-N-[2-(cyclohexylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41066253

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 9373789) is (3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is COC[C@@H](C)N1C[C@H](C(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1=O.
What is the InChIKey of (3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VXAFZFFYOYQXPF-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-15(14-29-2)25-13-16(12-20(25)26)21(27)24-19-11-7-6-10-18(19)22(28)23-17-8-4-3-5-9-17/h6-7,10-11,15-17H,3-5,8-9,12-14H2,1-2H3,(H,23,28)(H,24,27)/t15-,16-/m1/s1.
What are the key properties of (3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9373789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).