N-[3-(N-methylanilino)propyl]benzamide

C17H20N2O — CID 18110891

IUPACN-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-19(16-11-6-3-7-12-16)14-8-13-18-17(20)15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3,(H,18,20)
InChIKeyRRLDDFHFAGBPTJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.94
Rot. Bonds6

About N-[3-(N-methylanilino)propyl]benzamide

N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 18110891) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]benzamide
PubChem CID18110891
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-19(16-11-6-3-7-12-16)14-8-13-18-17(20)15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3,(H,18,20)
InChIKeyRRLDDFHFAGBPTJ-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
CID 27746715
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607
3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide
CID 37315817
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 17422605
2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
CID 112810441

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]benzamide (CID 18110891) is N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]benzamide is CN(CCCNC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is RRLDDFHFAGBPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-19(16-11-6-3-7-12-16)14-8-13-18-17(20)15-9-4-2-5-10-15/h2-7,9-12H,8,13-14H2,1H3,(H,18,20).
What are the key properties of N-[3-(N-methylanilino)propyl]benzamide?
N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 18110891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).