N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide

C25H25N3O3 — CID 51725330

IUPACN-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C25H25N3O3/c1-18(27-24(30)17-26-23(29)15-19-9-4-2-5-10-19)21-13-8-14-22(16-21)28-25(31)20-11-6-3-7-12-20/h2-14,16,18H,15,17H2,1H3,(H,26,29)(H,27,30)(H,28,31)/t18-/m0/s1
InChIKeyXRZIJEOPKYKILF-SFHVURJKSA-N
MW415.49 g/mol
LogP3.47
Rot. Bonds8

About N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide

N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide (PubChem CID 51725330) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
PubChem CID51725330
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C25H25N3O3/c1-18(27-24(30)17-26-23(29)15-19-9-4-2-5-10-19)21-13-8-14-22(16-21)28-25(31)20-11-6-3-7-12-20/h2-14,16,18H,15,17H2,1H3,(H,26,29)(H,27,30)(H,28,31)/t18-/m0/s1
InChIKeyXRZIJEOPKYKILF-SFHVURJKSA-N
XLogP3.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 46456768
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
N-[3-[1-[(2-naphthalen-1-ylacetyl)amino]ethyl]phenyl]benzamide
CID 46464519
benzyl N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]carbamate
CID 55837379
N-[3-[1-(3-thiophen-3-ylpropanoylamino)ethyl]phenyl]benzamide
CID 46465115
N-[3-[1-(2-methylprop-2-enylcarbamothioylamino)ethyl]phenyl]benzamide
CID 43077221
N-[3-[1-[(2-cyclohexylacetyl)amino]ethyl]phenyl]benzamide
CID 46456437
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 51727122
N-[4-[1-(3-benzamidophenyl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
CID 46464874
N-[3-[1-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 46456558
N-[3-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 42960826

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide (CID 51725330) is N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide is C[C@H](NC(=O)CNC(=O)Cc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide?
The InChIKey is XRZIJEOPKYKILF-SFHVURJKSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-18(27-24(30)17-26-23(29)15-19-9-4-2-5-10-19)21-13-8-14-22(16-21)28-25(31)20-11-6-3-7-12-20/h2-14,16,18H,15,17H2,1H3,(H,26,29)(H,27,30)(H,28,31)/t18-/m0/s1.
What are the key properties of N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide?
N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 51725330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).