N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide

C23H28N2O2 — CID 46056998

IUPACN-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCCCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)C2CC2)c1
InChIInChI=1S/C23H28N2O2/c1-3-13-24-22(26)15-19-5-4-6-21(14-19)25(23(27)20-11-12-20)16-18-9-7-17(2)8-10-18/h4-10,14,20H,3,11-13,15-16H2,1-2H3,(H,24,26)
InChIKeyYOQMLXSBCRIHKV-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.01
Rot. Bonds8

About N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide

N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 46056998) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID46056998
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCCCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)C2CC2)c1
InChIInChI=1S/C23H28N2O2/c1-3-13-24-22(26)15-19-5-4-6-21(14-19)25(23(27)20-11-12-20)16-18-9-7-17(2)8-10-18/h4-10,14,20H,3,11-13,15-16H2,1-2H3,(H,24,26)
InChIKeyYOQMLXSBCRIHKV-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057025
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057030
N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 42859607
N-[(4-methylphenyl)methyl]-4-nitro-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide
CID 46057145
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopentanecarboxamide
CID 46057032
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 46052446
N-benzyl-3-methyl-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]butanamide
CID 42859236
N-benzyl-N-[3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 83289075
N-[(4-methylphenyl)methyl]-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 42852829
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide
CID 46056527
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 42856764

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide (CID 46056998) is N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide is CCCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)C2CC2)c1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is YOQMLXSBCRIHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-3-13-24-22(26)15-19-5-4-6-21(14-19)25(23(27)20-11-12-20)16-18-9-7-17(2)8-10-18/h4-10,14,20H,3,11-13,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide?
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46056998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).