3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide

C26H29N3O4 — CID 3380556

IUPAC3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCN(C(=O)Nc2ccccc2C)c2ccccc2)c1
InChIInChI=1S/C26H29N3O4/c1-19-10-7-8-13-24(19)28-26(31)29(21-11-5-4-6-12-21)15-9-14-27-25(30)20-16-22(32-2)18-23(17-20)33-3/h4-8,10-13,16-18H,9,14-15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeySBVFJXGOQGTDTB-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.87
Rot. Bonds9

About 3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide

3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide (PubChem CID 3380556) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide
PubChem CID3380556
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCCN(C(=O)Nc2ccccc2C)c2ccccc2)c1
InChIInChI=1S/C26H29N3O4/c1-19-10-7-8-13-24(19)28-26(31)29(21-11-5-4-6-12-21)15-9-14-27-25(30)20-16-22(32-2)18-23(17-20)33-3/h4-8,10-13,16-18H,9,14-15H2,1-3H3,(H,27,30)(H,28,31)
InChIKeySBVFJXGOQGTDTB-UHFFFAOYSA-N
XLogP4.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]propanamide
CID 42705644
N-[3-(N-ethylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191668
3-(4-chlorophenyl)-1-[3-[(2-methylphenyl)carbamoylamino]propyl]-1-phenylurea
CID 42657176
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
2-fluoro-N-[3-[N-[(2-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]benzamide
CID 42707024
4-fluoro-N-[3-[(2-methylphenyl)carbamoylamino]propyl]-N-phenylbenzamide
CID 42705698
1-[3-[(3-methoxyphenyl)carbamoylamino]propyl]-3-(4-methylphenyl)-1-phenylurea
CID 42702260
3-(2-methylphenyl)-1-[3-(naphthalen-2-ylsulfonylamino)propyl]-1-(4-phenoxyphenyl)urea
CID 42707044
4-butyl-N-[3-[N-[(4-methylphenyl)carbamoyl]anilino]propyl]benzamide
CID 42702208
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 42707241
4-methoxy-N-[3-(methylamino)propyl]-N-phenylbenzamide
CID 14872044
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide (CID 3380556) is 3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide is COc1cc(OC)cc(C(=O)NCCCN(C(=O)Nc2ccccc2C)c2ccccc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide?
The InChIKey is SBVFJXGOQGTDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-19-10-7-8-13-24(19)28-26(31)29(21-11-5-4-6-12-21)15-9-14-27-25(30)20-16-22(32-2)18-23(17-20)33-3/h4-8,10-13,16-18H,9,14-15H2,1-3H3,(H,27,30)(H,28,31).
What are the key properties of 3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide?
3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 4.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[3-[N-[(2-methylphenyl)carbamoyl]anilino]propyl]benzamide is sourced from PubChem (CID 3380556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).