4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide

C18H22N2O2 — CID 14872044

IUPAC4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
SMILESCNCCCN(C(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-19-13-6-14-20(16-7-4-3-5-8-16)18(21)15-9-11-17(22-2)12-10-15/h3-5,7-12,19H,6,13-14H2,1-2H3
InChIKeyOLEQMQZVGRNSIQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.95
Rot. Bonds7

About 4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide

4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide (PubChem CID 14872044) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
PubChem CID14872044
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
SMILESCNCCCN(C(=O)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O2/c1-19-13-6-14-20(16-7-4-3-5-8-16)18(21)15-9-11-17(22-2)12-10-15/h3-5,7-12,19H,6,13-14H2,1-2H3
InChIKeyOLEQMQZVGRNSIQ-UHFFFAOYSA-N
XLogP2.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-N-[3-(methylamino)propyl]benzamide
CID 14872039
N-hexadecyl-4-methoxy-N-phenylbenzamide
CID 13203872
2,4-dichloro-N-[3-(N-(4-methoxybenzoyl)anilino)propyl]benzamide
CID 42706752
N-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 101430804
N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide
CID 42726365
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 4013315
N-[3-(pentanoylamino)propyl]-N-phenylbenzamide
CID 42705905
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
N-(4-fluorophenyl)-4-methoxy-N-[2-[(2-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 42724477
4-butoxy-N,N-diphenylbenzamide;4-methoxy-N,N-diphenylbenzamide
CID 157213246

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide?
The IUPAC name of 4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide (CID 14872044) is 4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide.
What is the SMILES notation for 4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide?
The canonical SMILES for 4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide is CNCCCN(C(=O)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide?
The InChIKey is OLEQMQZVGRNSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-13-6-14-20(16-7-4-3-5-8-16)18(21)15-9-11-17(22-2)12-10-15/h3-5,7-12,19H,6,13-14H2,1-2H3.
What are the key properties of 4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide?
4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide is sourced from PubChem (CID 14872044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).