N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide

C26H27N3O3 — CID 121063165

IUPACN-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
SMILESCCC(C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H27N3O3/c1-2-23(19-9-5-3-6-10-19)26(32)29-22-15-13-21(14-16-22)25(31)28-18-17-27-24(30)20-11-7-4-8-12-20/h3-16,23H,2,17-18H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyPSXCIEYCLDMWQD-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.98
Rot. Bonds9

About N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide

N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide (PubChem CID 121063165) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
PubChem CID121063165
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
SMILESCCC(C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H27N3O3/c1-2-23(19-9-5-3-6-10-19)26(32)29-22-15-13-21(14-16-22)25(31)28-18-17-27-24(30)20-11-7-4-8-12-20/h3-16,23H,2,17-18H2,1H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyPSXCIEYCLDMWQD-UHFFFAOYSA-N
XLogP3.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17361450
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180
2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate
CID 6955755
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
N-hydroxy-4-[2-(4-methylphenyl)butanoylamino]benzamide
CID 123214374
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
3-[4-(2-phenylbutanoylamino)phenyl]propanoic acid
CID 119252366

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide?
The IUPAC name of N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide (CID 121063165) is N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide is CCC(C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide?
The InChIKey is PSXCIEYCLDMWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-2-23(19-9-5-3-6-10-19)26(32)29-22-15-13-21(14-16-22)25(31)28-18-17-27-24(30)20-11-7-4-8-12-20/h3-16,23H,2,17-18H2,1H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide?
N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide has a molecular weight of 429.52 g/mol, XLogP of 3.98, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide is sourced from PubChem (CID 121063165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).