N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide

C23H28N2O — CID 70765652

IUPACN-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C(=O)N(C)CC3CCN(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C23H28N2O/c1-18-8-10-20(11-9-18)23(13-14-23)22(26)24(2)16-19-12-15-25(17-19)21-6-4-3-5-7-21/h3-11,19H,12-17H2,1-2H3
InChIKeyFNLTTZGLDCJXKT-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.01
Rot. Bonds5

About N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide

N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 70765652) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID70765652
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C(=O)N(C)CC3CCN(c4ccccc4)C3)CC2)cc1
InChIInChI=1S/C23H28N2O/c1-18-8-10-20(11-9-18)23(13-14-23)22(26)24(2)16-19-12-15-25(17-19)21-6-4-3-5-7-21/h3-11,19H,12-17H2,1-2H3
InChIKeyFNLTTZGLDCJXKT-UHFFFAOYSA-N
XLogP4.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70778468
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 70779633
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 70706449
N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 96575921
N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97191208
N-methyl-2-(1-methylimidazol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70744638
N-methyl-2-(1-methylimidazol-2-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97131034
N,1-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96578217
3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 96581020
N-methyl-N-[(4-methyloxan-4-yl)methyl]-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 131906546

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide (CID 70765652) is N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide is Cc1ccc(C2(C(=O)N(C)CC3CCN(c4ccccc4)C3)CC2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is FNLTTZGLDCJXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-18-8-10-20(11-9-18)23(13-14-23)22(26)24(2)16-19-12-15-25(17-19)21-6-4-3-5-7-21/h3-11,19H,12-17H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide?
N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 70765652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).