N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide

C23H28N2O — CID 59079688

IUPACN-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide
SMILESCN(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CCN(CC2CC2)C1
InChIInChI=1S/C23H28N2O/c1-24(22-13-14-25(17-22)16-19-7-8-19)23(26)15-18-9-11-21(12-10-18)20-5-3-2-4-6-20/h2-6,9-12,19,22H,7-8,13-17H2,1H3
InChIKeyDKQHZJBQWYXFJJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.84
Rot. Bonds6

About N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide

N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide (PubChem CID 59079688) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide
PubChem CID59079688
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide
SMILESCN(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CCN(CC2CC2)C1
InChIInChI=1S/C23H28N2O/c1-24(22-13-14-25(17-22)16-19-7-8-19)23(26)15-18-9-11-21(12-10-18)20-5-3-2-4-6-20/h2-6,9-12,19,22H,7-8,13-17H2,1H3
InChIKeyDKQHZJBQWYXFJJ-UHFFFAOYSA-N
XLogP3.84
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4-phenylphenyl)-N-(1-propan-2-ylpyrrolidin-3-yl)acetamide;hydrochloride
CID 10156170
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-yl]propanamide
CID 26326645
N-(1-ethylpiperidin-4-yl)-N-methyl-2-(4-sulfanylphenyl)acetamide
CID 107026586
1-[(4S)-4-(dimethylamino)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 95724805
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
N-methyl-2-phenyl-N-[(4-phenylphenyl)methyl]acetamide
CID 55580695
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340
N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 52895246
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide (CID 59079688) is N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide is CN(C(=O)Cc1ccc(-c2ccccc2)cc1)C1CCN(CC2CC2)C1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide?
The InChIKey is DKQHZJBQWYXFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-24(22-13-14-25(17-22)16-19-7-8-19)23(26)15-18-9-11-21(12-10-18)20-5-3-2-4-6-20/h2-6,9-12,19,22H,7-8,13-17H2,1H3.
What are the key properties of N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide?
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide has a molecular weight of 348.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methyl-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 59079688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).