N-(3-acetamidopropyl)-4-phenylbenzamide

C18H20N2O2 — CID 38450168

IUPACN-(3-acetamidopropyl)-4-phenylbenzamide
SMILESCC(=O)NCCCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-14(21)19-12-5-13-20-18(22)17-10-8-16(9-11-17)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyYXSTWKXUOCIKAB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.61
Rot. Bonds6

About N-(3-acetamidopropyl)-4-phenylbenzamide

N-(3-acetamidopropyl)-4-phenylbenzamide (PubChem CID 38450168) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-4-phenylbenzamide
PubChem CID38450168
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(3-acetamidopropyl)-4-phenylbenzamide
SMILESCC(=O)NCCCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2/c1-14(21)19-12-5-13-20-18(22)17-10-8-16(9-11-17)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyYXSTWKXUOCIKAB-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-phenylbenzamide
CID 3637649
N-[3-(2-methoxyethoxy)propyl]-4-phenylbenzamide
CID 134029636
diethyl-[3-[(4-phenylbenzoyl)amino]propyl]azanium
CID 7029075
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide
CID 110630734
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
N-(2-acetamidoethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
CID 134803671
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
3-[(4-acetylbenzoyl)amino]propylcarbamic acid
CID 130234189
N-(4-oxopentyl)benzamide
CID 10798281
N-(3-acetamidopropyl)-4-(methylsulfonylmethyl)benzamide
CID 38449785
N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide
CID 110609817

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-4-phenylbenzamide?
The IUPAC name of N-(3-acetamidopropyl)-4-phenylbenzamide (CID 38450168) is N-(3-acetamidopropyl)-4-phenylbenzamide.
What is the SMILES notation for N-(3-acetamidopropyl)-4-phenylbenzamide?
The canonical SMILES for N-(3-acetamidopropyl)-4-phenylbenzamide is CC(=O)NCCCNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(3-acetamidopropyl)-4-phenylbenzamide?
The InChIKey is YXSTWKXUOCIKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14(21)19-12-5-13-20-18(22)17-10-8-16(9-11-17)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-acetamidopropyl)-4-phenylbenzamide?
N-(3-acetamidopropyl)-4-phenylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-4-phenylbenzamide is sourced from PubChem (CID 38450168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).