2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide

C18H23N3O2 — CID 119430354

IUPAC2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccccc1Nc1ccc(OC)cc1
InChIInChI=1S/C18H23N3O2/c1-19-12-5-13-20-18(22)16-6-3-4-7-17(16)21-14-8-10-15(23-2)11-9-14/h3-4,6-11,19,21H,5,12-13H2,1-2H3,(H,20,22)
InChIKeySEHOGZOKPVTWMN-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.78
Rot. Bonds8

About 2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide

2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide (PubChem CID 119430354) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
PubChem CID119430354
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
SMILESCNCCCNC(=O)c1ccccc1Nc1ccc(OC)cc1
InChIInChI=1S/C18H23N3O2/c1-19-12-5-13-20-18(22)16-6-3-4-7-17(16)21-14-8-10-15(23-2)11-9-14/h3-4,6-11,19,21H,5,12-13H2,1-2H3,(H,20,22)
InChIKeySEHOGZOKPVTWMN-UHFFFAOYSA-N
XLogP2.78
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride
CID 120945808
ethyl 2-(4-methoxyanilino)benzoate
CID 13424427
2-(4-methoxyanilino)-N-piperidin-4-ylbenzamide
CID 119386646
2-(4-methoxyanilino)-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55857881
4-methoxy-N-[3-(methylamino)propyl]naphthalene-1-carboxamide
CID 119431564
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide
CID 55719688
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
propan-2-yl 2-(4-methoxyanilino)benzoate
CID 54153670

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide (CID 119430354) is 2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide is CNCCCNC(=O)c1ccccc1Nc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide?
The InChIKey is SEHOGZOKPVTWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-19-12-5-13-20-18(22)16-6-3-4-7-17(16)21-14-8-10-15(23-2)11-9-14/h3-4,6-11,19,21H,5,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide?
2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide is sourced from PubChem (CID 119430354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).