N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide

C19H24N2O — CID 142242535

IUPACN-[3-[(3-ethylphenyl)methylamino]propyl]benzamide
SMILESCCc1cccc(CNCCCNC(=O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O/c1-2-16-8-6-9-17(14-16)15-20-12-7-13-21-19(22)18-10-4-3-5-11-18/h3-6,8-11,14,20H,2,7,12-13,15H2,1H3,(H,21,22)
InChIKeyJNOBGFCTBIAMFO-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.16
Rot. Bonds8

About N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide

N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide (PubChem CID 142242535) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[(3-ethylphenyl)methylamino]propyl]benzamide
PubChem CID142242535
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[3-[(3-ethylphenyl)methylamino]propyl]benzamide
SMILESCCc1cccc(CNCCCNC(=O)c2ccccc2)c1
InChIInChI=1S/C19H24N2O/c1-2-16-8-6-9-17(14-16)15-20-12-7-13-21-19(22)18-10-4-3-5-11-18/h3-6,8-11,14,20H,2,7,12-13,15H2,1H3,(H,21,22)
InChIKeyJNOBGFCTBIAMFO-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.16
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-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
CID 142242395
2-amino-N-[3-[(3-ethylphenyl)methylamino]propyl]acetamide
CID 142205419
N-[2-[3-[(3-ethylphenyl)methylamino]propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 142242776
N-[1-[3-[(3-ethylphenyl)methylamino]propylamino]-3-heptan-4-ylsulfonyl-1-oxopropan-2-yl]benzamide
CID 142191748
3-acetyl-N-[3-[[3-(benzylamino)phenyl]methylamino]propyl]benzamide
CID 143752591
N-[3-[(3-ethylphenyl)methylamino]propyl]-3-[[2-hydroxyethyl(methyl)amino]methyl]-5-methylbenzamide
CID 142242677
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-[(2R)-3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-3-phenylbenzamide
CID 70881613
4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide
CID 118607429
N-[4-[[3-(methoxymethyl)phenyl]methylamino]-4-oxobutyl]benzamide
CID 46487585
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide?
The IUPAC name of N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide (CID 142242535) is N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide.
What is the SMILES notation for N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide?
The canonical SMILES for N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide is CCc1cccc(CNCCCNC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide?
The InChIKey is JNOBGFCTBIAMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-16-8-6-9-17(14-16)15-20-12-7-13-21-19(22)18-10-4-3-5-11-18/h3-6,8-11,14,20H,2,7,12-13,15H2,1H3,(H,21,22).
What are the key properties of N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide?
N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide has a molecular weight of 296.41 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-ethylphenyl)methylamino]propyl]benzamide is sourced from PubChem (CID 142242535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).