4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide

C21H26N2O2 — CID 118770252

IUPAC4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCC[C@H]3CCCN3)cc2)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-15-14-19(25-2)9-10-20(15)16-5-7-17(8-6-16)21(24)23-13-11-18-4-3-12-22-18/h5-10,14,18,22H,3-4,11-13H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyQTVQXJIBXCHQHY-GOSISDBHSA-N
MW338.45 g/mol
LogP3.54
Rot. Bonds6

About 4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide

4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide (PubChem CID 118770252) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
PubChem CID118770252
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCC[C@H]3CCCN3)cc2)c(C)c1
InChIInChI=1S/C21H26N2O2/c1-15-14-19(25-2)9-10-20(15)16-5-7-17(8-6-16)21(24)23-13-11-18-4-3-12-22-18/h5-10,14,18,22H,3-4,11-13H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyQTVQXJIBXCHQHY-GOSISDBHSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
4-(difluoromethoxy)-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793978
3-fluoro-4-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955125
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
3-propan-2-yloxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793671
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)benzamide;hydrochloride
CID 154909146
1,5,6-trimethyl-2-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-3-carboxamide
CID 74231255
4-methoxy-N-methyl-3-[4-[[(2S)-pyrrolidin-2-yl]methylcarbamoyl]phenyl]benzamide;hydrochloride
CID 154904287
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide (CID 118770252) is 4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide is COc1ccc(-c2ccc(C(=O)NCC[C@H]3CCCN3)cc2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
The InChIKey is QTVQXJIBXCHQHY-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-14-19(25-2)9-10-20(15)16-5-7-17(8-6-16)21(24)23-13-11-18-4-3-12-22-18/h5-10,14,18,22H,3-4,11-13H2,1-2H3,(H,23,24)/t18-/m1/s1.
What are the key properties of 4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide?
4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 118770252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).