N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide

C27H28N2O3 — CID 158116212

IUPACN-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide
SMILESCCN(C(=O)[C@@H](CC(=O)CNC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O3/c1-2-29(24-16-10-5-11-17-24)27(32)23(18-21-12-6-3-7-13-21)19-25(30)20-28-26(31)22-14-8-4-9-15-22/h3-17,23H,2,18-20H2,1H3,(H,28,31)/t23-/m1/s1
InChIKeyYCHGXYWDQLHLJU-HSZRJFAPSA-N
MW428.53 g/mol
LogP4.29
Rot. Bonds10

About N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide

N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide (PubChem CID 158116212) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide.

Molecular Properties

Compound NameN-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide
PubChem CID158116212
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide
SMILESCCN(C(=O)[C@@H](CC(=O)CNC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O3/c1-2-29(24-16-10-5-11-17-24)27(32)23(18-21-12-6-3-7-13-21)19-25(30)20-28-26(31)22-14-8-4-9-15-22/h3-17,23H,2,18-20H2,1H3,(H,28,31)/t23-/m1/s1
InChIKeyYCHGXYWDQLHLJU-HSZRJFAPSA-N
XLogP4.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783257
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 2625448
N,N'-diethyl-N,N',2-triphenylpropanediamide
CID 3397142
N-[2-[[1-(4-fluoro-N-methylanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]benzamide
CID 162471156
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269603
4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
3,4-dichloro-N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 112996883
N-ethyl-2,3-dihydroxy-N-phenylpropanamide
CID 11195148
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-(6-methyl-2,5-dioxoheptyl)benzamide
CID 171414098

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide?
The IUPAC name of N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide (CID 158116212) is N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide.
What is the SMILES notation for N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide?
The canonical SMILES for N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide is CCN(C(=O)[C@@H](CC(=O)CNC(=O)c1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide?
The InChIKey is YCHGXYWDQLHLJU-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-2-29(24-16-10-5-11-17-24)27(32)23(18-21-12-6-3-7-13-21)19-25(30)20-28-26(31)22-14-8-4-9-15-22/h3-17,23H,2,18-20H2,1H3,(H,28,31)/t23-/m1/s1.
What are the key properties of N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide?
N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide has a molecular weight of 428.53 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-4-benzyl-5-(N-ethylanilino)-2,5-dioxopentyl]benzamide is sourced from PubChem (CID 158116212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).