(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide

C14H20N2O2 — CID 114084896

IUPAC(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CNC[C@H]2C)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-9-6-11(18-3)4-5-13(9)16-14(17)12-8-15-7-10(12)2/h4-6,10,12,15H,7-8H2,1-3H3,(H,16,17)/t10-,12-/m1/s1
InChIKeyRPAZCYOEHVCLDJ-ZYHUDNBSSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds3

About (3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide

(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 114084896) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID114084896
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CNC[C@H]2C)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-9-6-11(18-3)4-5-13(9)16-14(17)12-8-15-7-10(12)2/h4-6,10,12,15H,7-8H2,1-3H3,(H,16,17)/t10-,12-/m1/s1
InChIKeyRPAZCYOEHVCLDJ-ZYHUDNBSSA-N
XLogP1.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 63714118
2-(azetidin-3-yl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 64612053
(3S,4S)-N-(5-bromo-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 98538433
4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119709484
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569194
4-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 63715280
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
5-iodo-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63714017
N-(2-chloro-4-fluorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 55228625
2-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 48666589
methyl 4-fluoro-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63715623

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide (CID 114084896) is (3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CNC[C@H]2C)c(C)c1.
What is the InChIKey of (3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is RPAZCYOEHVCLDJ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-6-11(18-3)4-5-13(9)16-14(17)12-8-15-7-10(12)2/h4-6,10,12,15H,7-8H2,1-3H3,(H,16,17)/t10-,12-/m1/s1.
What are the key properties of (3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114084896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).