(3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C19H27ClN2O2 — CID 9391631

IUPAC(3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H27ClN2O2/c1-13(2)10-21(11-14(3)4)19(24)15-9-18(23)22(12-15)17-7-5-16(20)6-8-17/h5-8,13-15H,9-12H2,1-4H3/t15-/m0/s1
InChIKeyCKQQYOYJOYPRIE-HNNXBMFYSA-N
MW350.89 g/mol
LogP3.83
Rot. Bonds6

About (3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9391631) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is (3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9391631
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name(3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H27ClN2O2/c1-13(2)10-21(11-14(3)4)19(24)15-9-18(23)22(12-15)17-7-5-16(20)6-8-17/h5-8,13-15H,9-12H2,1-4H3/t15-/m0/s1
InChIKeyCKQQYOYJOYPRIE-HNNXBMFYSA-N
XLogP3.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(4-ethylphenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9390002
1-(4-chlorophenyl)-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 87024320
3-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-1,1-bis(2-methylpropyl)urea
CID 7548497
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193196
1-(2-fluorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 18886103
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
(3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9391280
N,N-bis(2-methylpropyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118781
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 774003
N-(3-amino-2,2-dimethylpropyl)-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119656804
(3S)-1-(1,3-benzodioxol-5-yl)-N-ethyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 38589941
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 9391631) is (3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CN(CC(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CKQQYOYJOYPRIE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-13(2)10-21(11-14(3)4)19(24)15-9-18(23)22(12-15)17-7-5-16(20)6-8-17/h5-8,13-15H,9-12H2,1-4H3/t15-/m0/s1.
What are the key properties of (3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 350.89 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9391631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).