N-(3-anilinopropyl)-2-phenylacetamide

C17H20N2O — CID 102467435

IUPACN-(3-anilinopropyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCCNc1ccccc1
InChIInChI=1S/C17H20N2O/c20-17(14-15-8-3-1-4-9-15)19-13-7-12-18-16-10-5-2-6-11-16/h1-6,8-11,18H,7,12-14H2,(H,19,20)
InChIKeyFYBQKIOZVGDEJD-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.85
Rot. Bonds7

About N-(3-anilinopropyl)-2-phenylacetamide

N-(3-anilinopropyl)-2-phenylacetamide (PubChem CID 102467435) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(3-anilinopropyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-anilinopropyl)-2-phenylacetamide
PubChem CID102467435
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(3-anilinopropyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCCNc1ccccc1
InChIInChI=1S/C17H20N2O/c20-17(14-15-8-3-1-4-9-15)19-13-7-12-18-16-10-5-2-6-11-16/h1-6,8-11,18H,7,12-14H2,(H,19,20)
InChIKeyFYBQKIOZVGDEJD-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.85
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-[4-[2-(3-anilinopropylamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 56586618
N-(3-anilinopropyl)nonanamide
CID 56586452
N-[3-(cyclopropylamino)propyl]-2-phenylacetamide
CID 43596486
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
CID 71541381
4-amino-N-(3-anilinopropyl)pentanamide
CID 120565112
N,N'-diphenylpropane-1,3-diamine;hydrochloride
CID 68721632
N-(3-anilinopropyl)-4-phenylmethoxybenzamide
CID 56586584
3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
CID 119953482
2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide
CID 82331250
1-amino-N-(3-anilinopropyl)cyclopropane-1-carboxamide
CID 119867759

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinopropyl)-2-phenylacetamide?
The IUPAC name of N-(3-anilinopropyl)-2-phenylacetamide (CID 102467435) is N-(3-anilinopropyl)-2-phenylacetamide.
What is the SMILES notation for N-(3-anilinopropyl)-2-phenylacetamide?
The canonical SMILES for N-(3-anilinopropyl)-2-phenylacetamide is O=C(Cc1ccccc1)NCCCNc1ccccc1.
What is the InChIKey of N-(3-anilinopropyl)-2-phenylacetamide?
The InChIKey is FYBQKIOZVGDEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(14-15-8-3-1-4-9-15)19-13-7-12-18-16-10-5-2-6-11-16/h1-6,8-11,18H,7,12-14H2,(H,19,20).
What are the key properties of N-(3-anilinopropyl)-2-phenylacetamide?
N-(3-anilinopropyl)-2-phenylacetamide has a molecular weight of 268.36 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinopropyl)-2-phenylacetamide is sourced from PubChem (CID 102467435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).