3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide

C21H26N2O2 — CID 124730324

IUPAC3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)c1
InChIInChI=1S/C21H26N2O2/c1-16-6-3-4-9-20(16)18-10-12-23(15-18)13-11-22-21(24)17-7-5-8-19(14-17)25-2/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyPKNFKKOJNHFPGT-SFHVURJKSA-N
MW338.45 g/mol
LogP3.22
Rot. Bonds6

About 3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide

3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide (PubChem CID 124730324) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
PubChem CID124730324
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)c1
InChIInChI=1S/C21H26N2O2/c1-16-6-3-4-9-20(16)18-10-12-23(15-18)13-11-22-21(24)17-7-5-8-19(14-17)25-2/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyPKNFKKOJNHFPGT-SFHVURJKSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 126450185
5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide
CID 72907620
5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 131891063
2-(2-methoxyphenyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]acetamide
CID 124749520
2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 125166620
2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 72841954
2-(ethylamino)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 97138436
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
4,6-dimethyl-N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 97138379
3-methoxy-N-[2-[[N-methyl-C-[2-(2-methylphenyl)morpholin-4-yl]carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109480994
1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 131946409
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70745244

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide (CID 124730324) is 3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide is COc1cccc(C(=O)NCCN2CC[C@H](c3ccccc3C)C2)c1.
What is the InChIKey of 3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide?
The InChIKey is PKNFKKOJNHFPGT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-6-3-4-9-20(16)18-10-12-23(15-18)13-11-22-21(24)17-7-5-8-19(14-17)25-2/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide?
3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 124730324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).