2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide

C24H25N3O4 — CID 56514550

IUPAC2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide
SMILESO=C(CN(CCCO)C(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H25N3O4/c28-17-7-16-26(18-23(29)25-21-12-14-22(15-13-21)27(30)31)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-15,24,28H,7,16-18H2,(H,25,29)
InChIKeyUPGGAEWJFINLTA-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.01
Rot. Bonds10

About 2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide

2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide (PubChem CID 56514550) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide
PubChem CID56514550
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide
SMILESO=C(CN(CCCO)C(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C24H25N3O4/c28-17-7-16-26(18-23(29)25-21-12-14-22(15-13-21)27(30)31)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-15,24,28H,7,16-18H2,(H,25,29)
InChIKeyUPGGAEWJFINLTA-UHFFFAOYSA-N
XLogP4.01
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxyethyl(propan-2-yl)amino]-N-(4-nitrophenyl)acetamide
CID 60691484
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
(4R)-4-(4-nitroanilino)-4-phenylbutan-1-ol
CID 95775382
N,N'-bis(4-nitrophenyl)-2-phenylpropanediamide
CID 3396330
[2-(4-nitroanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752563
2-[3-hydroxypropyl(propan-2-yl)amino]-N-(2-nitrophenyl)acetamide
CID 62014044
N-[4-(4-nitrophenyl)sulfanylphenyl]-2-phenylsulfanylacetamide
CID 1317844
1-(2,2-diphenylethyl)-3-(4-nitrophenyl)thiourea
CID 8658929
2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylbenzoic acid
CID 5298939
[2-(4-nitroanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 8759015
3-[methyl-[3-(4-nitroanilino)-3-oxopropyl]amino]propanoic acid
CID 119912234
2-(2-fluorophenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 7965036

Frequently Asked Questions

What is the IUPAC name of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide (CID 56514550) is 2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide is O=C(CN(CCCO)C(c1ccccc1)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide?
The InChIKey is UPGGAEWJFINLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c28-17-7-16-26(18-23(29)25-21-12-14-22(15-13-21)27(30)31)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-15,24,28H,7,16-18H2,(H,25,29).
What are the key properties of 2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide?
2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide has a molecular weight of 419.48 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzhydryl(3-hydroxypropyl)amino]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 56514550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).