N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide

C26H28N2O2 — CID 42859274

IUPACN-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
SMILESCCCN(C)C(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2)c1
InChIInChI=1S/C26H28N2O2/c1-3-17-27(2)25(29)19-22-13-10-16-24(18-22)28(20-21-11-6-4-7-12-21)26(30)23-14-8-5-9-15-23/h4-16,18H,3,17,19-20H2,1-2H3
InChIKeyKVJXBBJZIBASAA-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.94
Rot. Bonds8

About N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide

N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide (PubChem CID 42859274) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
PubChem CID42859274
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
SMILESCCCN(C)C(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2)c1
InChIInChI=1S/C26H28N2O2/c1-3-17-27(2)25(29)19-22-13-10-16-24(18-22)28(20-21-11-6-4-7-12-21)26(30)23-14-8-5-9-15-23/h4-16,18H,3,17,19-20H2,1-2H3
InChIKeyKVJXBBJZIBASAA-UHFFFAOYSA-N
XLogP4.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 42859330
N-[3-[(dimethylamino)methyl]phenyl]-N-propylbenzamide
CID 11409957
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 46052590
N-[(4-fluorophenyl)methyl]-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 42859503
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide
CID 42859271
N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052547
N-benzyl-N-[3-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]phenyl]-3-fluorobenzamide
CID 42859313
N-benzyl-N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]cyclopentanecarboxamide
CID 46056563
4-[(N-[methyl(propyl)carbamoyl]anilino)methyl]benzoic acid
CID 134584350
N-[3-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 46056985
N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
CID 46046689
N-[(4-fluorophenyl)methyl]-N-[3-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 42859460

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide?
The IUPAC name of N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide (CID 42859274) is N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide.
What is the SMILES notation for N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide?
The canonical SMILES for N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide is CCCN(C)C(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2)c1.
What is the InChIKey of N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide?
The InChIKey is KVJXBBJZIBASAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-17-27(2)25(29)19-22-13-10-16-24(18-22)28(20-21-11-6-4-7-12-21)26(30)23-14-8-5-9-15-23/h4-16,18H,3,17,19-20H2,1-2H3.
What are the key properties of N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide?
N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide has a molecular weight of 400.52 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 42859274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).