N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide

C24H28N2O2 — CID 46052446

IUPACN-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
SMILESCc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCC3CC3)cc2)cc1
InChIInChI=1S/C24H28N2O2/c1-17-2-4-20(5-3-17)16-26(24(28)21-10-11-21)22-12-8-18(9-13-22)14-23(27)25-15-19-6-7-19/h2-5,8-9,12-13,19,21H,6-7,10-11,14-16H2,1H3,(H,25,27)
InChIKeyOKNKCDUIJJGHOQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.01
Rot. Bonds8

About N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide

N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide (PubChem CID 46052446) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
PubChem CID46052446
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
SMILESCc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCC3CC3)cc2)cc1
InChIInChI=1S/C24H28N2O2/c1-17-2-4-20(5-3-17)16-26(24(28)21-10-11-21)22-12-8-18(9-13-22)14-23(27)25-15-19-6-7-19/h2-5,8-9,12-13,19,21H,6-7,10-11,14-16H2,1H3,(H,25,27)
InChIKeyOKNKCDUIJJGHOQ-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46052438
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 46052424
N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106124207
N-[(4-methylphenyl)methyl]-N-[4-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 42852829
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(cyclopropylmethyl)acetamide
CID 46160677
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46056998
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-phenylethylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46046353
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
N-benzyl-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46052504
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 46057025
N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052545
N-benzyl-N-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 46045794

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide (CID 46052446) is N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide is Cc1ccc(CN(C(=O)C2CC2)c2ccc(CC(=O)NCC3CC3)cc2)cc1.
What is the InChIKey of N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is OKNKCDUIJJGHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17-2-4-20(5-3-17)16-26(24(28)21-10-11-21)22-12-8-18(9-13-22)14-23(27)25-15-19-6-7-19/h2-5,8-9,12-13,19,21H,6-7,10-11,14-16H2,1H3,(H,25,27).
What are the key properties of N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide?
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 376.50 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-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 46052446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).