(2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide

C16H24N2O2 — CID 138000004

IUPAC(2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCO[C@H]1CN[C@@H](C(=O)N(C)Cc2cc(C)ccc2C)C1
InChIInChI=1S/C16H24N2O2/c1-11-5-6-12(2)13(7-11)10-18(3)16(19)15-8-14(20-4)9-17-15/h5-7,14-15,17H,8-10H2,1-4H3/t14-,15-/m1/s1
InChIKeyHQJIHYQIMGMKTR-HUUCEWRRSA-N
MW276.38 g/mol
LogP1.64
Rot. Bonds4

About (2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide

(2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 138000004) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
PubChem CID138000004
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCO[C@H]1CN[C@@H](C(=O)N(C)Cc2cc(C)ccc2C)C1
InChIInChI=1S/C16H24N2O2/c1-11-5-6-12(2)13(7-11)10-18(3)16(19)15-8-14(20-4)9-17-15/h5-7,14-15,17H,8-10H2,1-4H3/t14-,15-/m1/s1
InChIKeyHQJIHYQIMGMKTR-HUUCEWRRSA-N
XLogP1.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-3-hydroxy-N-(4-octylbenzyl)pyrrolidine-2-carboxamide
CID 45255825
(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-(4-cyanophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 153633177
(2S,4S)-N-[3-(diaminomethylideneamino)propyl]-4-hydroxy-1-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 44265681
(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-(4-ethynylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 153633215
(2S,4R)-1-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-(4-cyclopropylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 154979028
(2S)-N-[(2,4-dimethylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67460663
N-[(2,3-dimethylphenyl)methyl]-1-ethyl-5-oxoprolinamide
CID 67461792
(2S)-1-ethyl-5-oxo-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 67464438
(2S,4R)-4-fluoro-1-[2-(oxetan-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140433
(2S,4R)-1-[(2S)-2-[acetyl(methyl)amino]-3-methoxybutanoyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 169551211
1-(4-methylbenzyl)-5-oxo-N-(tetrahydrofuran-2-ylmethyl)prolinamide
CID 3241451
(2S,4S)-N-((S)-1-cyano-2-phenylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 46883503

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide (CID 138000004) is (2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide is CO[C@H]1CN[C@@H](C(=O)N(C)Cc2cc(C)ccc2C)C1.
What is the InChIKey of (2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is HQJIHYQIMGMKTR-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-6-12(2)13(7-11)10-18(3)16(19)15-8-14(20-4)9-17-15/h5-7,14-15,17H,8-10H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of (2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide?
(2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-[(2,5-dimethylphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 138000004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).