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

C27H28N2O2 — CID 46052438

IUPACN-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC3CC3)cc2)cc1
InChIInChI=1S/C27H28N2O2/c1-20-7-9-23(10-8-20)19-29(27(31)24-5-3-2-4-6-24)25-15-13-21(14-16-25)17-26(30)28-18-22-11-12-22/h2-10,13-16,22H,11-12,17-19H2,1H3,(H,28,30)
InChIKeyBCBCBAWLPSCJIJ-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.91
Rot. Bonds8

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

N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 46052438) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID46052438
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC3CC3)cc2)cc1
InChIInChI=1S/C27H28N2O2/c1-20-7-9-23(10-8-20)19-29(27(31)24-5-3-2-4-6-24)25-15-13-21(14-16-25)17-26(30)28-18-22-11-12-22/h2-10,13-16,22H,11-12,17-19H2,1H3,(H,28,30)
InChIKeyBCBCBAWLPSCJIJ-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052545
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 46052446
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 46052424
2-[4-[benzyl-(2-methoxyacetyl)amino]phenyl]-N-(cyclopropylmethyl)acetamide
CID 46160677
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46056800
N-[(4-aminocyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 106124207
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
N-[3-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-3-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 46162461
N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46046062
N-[(3-methylphenyl)methyl]-N-[4-[2-(2-methylpropylamino)-2-oxoethyl]phenyl]benzamide
CID 46052704
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
3-fluoro-N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]phenyl]benzamide
CID 46057014

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide (CID 46052438) is N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CN(C(=O)c2ccccc2)c2ccc(CC(=O)NCC3CC3)cc2)cc1.
What is the InChIKey of N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is BCBCBAWLPSCJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-20-7-9-23(10-8-20)19-29(27(31)24-5-3-2-4-6-24)25-15-13-21(14-16-25)17-26(30)28-18-22-11-12-22/h2-10,13-16,22H,11-12,17-19H2,1H3,(H,28,30).
What are the key properties of N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide?
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 412.53 g/mol, XLogP of 4.91, 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]benzamide is sourced from PubChem (CID 46052438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).