4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide

C25H25N3O3 — CID 39683129

IUPAC4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25N3O3/c1-17(2)26-23(29)16-18-8-12-21(13-9-18)27-25(31)20-10-14-22(15-11-20)28-24(30)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyYHUYUKIAYZGEDQ-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.26
Rot. Bonds7

About 4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide

4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide (PubChem CID 39683129) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
PubChem CID39683129
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25N3O3/c1-17(2)26-23(29)16-18-8-12-21(13-9-18)27-25(31)20-10-14-22(15-11-20)28-24(30)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3,(H,26,29)(H,27,31)(H,28,30)
InChIKeyYHUYUKIAYZGEDQ-UHFFFAOYSA-N
XLogP4.26
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 9050173
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683302
N-(4-ethylphenyl)benzamide
CID 774063
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 55967083
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55870064
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
CID 46488304
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
2-(4-acetamidophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9301966
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?
The IUPAC name of 4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide (CID 39683129) is 4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide.
What is the SMILES notation for 4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?
The canonical SMILES for 4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide is CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?
The InChIKey is YHUYUKIAYZGEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17(2)26-23(29)16-18-8-12-21(13-9-18)27-25(31)20-10-14-22(15-11-20)28-24(30)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3,(H,26,29)(H,27,31)(H,28,30).
What are the key properties of 4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide?
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide is sourced from PubChem (CID 39683129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).