N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride

C16H25ClN2O2 — CID 119766902

IUPACN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1c(C)cc(CN(C)C(=O)C2CCNC2)cc1C.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-7-13(8-12(2)15(11)20-4)10-18(3)16(19)14-5-6-17-9-14;/h7-8,14,17H,5-6,9-10H2,1-4H3;1H
InChIKeyZTXLOAZQRBDOGJ-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.30
Rot. Bonds4

About N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride

N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119766902) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119766902
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
SMILESCOc1c(C)cc(CN(C)C(=O)C2CCNC2)cc1C.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-11-7-13(8-12(2)15(11)20-4)10-18(3)16(19)14-5-6-17-9-14;/h7-8,14,17H,5-6,9-10H2,1-4H3;1H
InChIKeyZTXLOAZQRBDOGJ-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 124588743
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118960
N-[(4-chlorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005156
3-amino-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119766866
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119279483
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766864
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766858
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 119301226
2-(cyclopropylmethylamino)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylacetamide
CID 119766880
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119820838
(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81125207
N-(4-methoxy-3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 115159403

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride (CID 119766902) is N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride is COc1c(C)cc(CN(C)C(=O)C2CCNC2)cc1C.Cl.
What is the InChIKey of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is ZTXLOAZQRBDOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-11-7-13(8-12(2)15(11)20-4)10-18(3)16(19)14-5-6-17-9-14;/h7-8,14,17H,5-6,9-10H2,1-4H3;1H.
What are the key properties of N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride?
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119766902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).