N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide

C26H30N4O — CID 88991666

IUPACN-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide
SMILESCCNCCCNC(=O)c1ccc(Nc2cccc(/C=C/c3ccncc3)c2)c(C)c1
InChIInChI=1S/C26H30N4O/c1-3-27-14-5-15-29-26(31)23-10-11-25(20(2)18-23)30-24-7-4-6-22(19-24)9-8-21-12-16-28-17-13-21/h4,6-13,16-19,27,30H,3,5,14-15H2,1-2H3,(H,29,31)/b9-8+
InChIKeyVPVUNJMLNBWHSZ-CMDGGOBGSA-N
MW414.55 g/mol
LogP5.03
Rot. Bonds10

About N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide

N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide (PubChem CID 88991666) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide
PubChem CID88991666
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC NameN-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide
SMILESCCNCCCNC(=O)c1ccc(Nc2cccc(/C=C/c3ccncc3)c2)c(C)c1
InChIInChI=1S/C26H30N4O/c1-3-27-14-5-15-29-26(31)23-10-11-25(20(2)18-23)30-24-7-4-6-22(19-24)9-8-21-12-16-28-17-13-21/h4,6-13,16-19,27,30H,3,5,14-15H2,1-2H3,(H,29,31)/b9-8+
InChIKeyVPVUNJMLNBWHSZ-CMDGGOBGSA-N
XLogP5.03
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.03
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

N-[3-(diethylamino)propyl]-3-[3-(2-pyridin-4-ylethenyl)anilino]benzamide
CID 67055113
N-[3-(ethylamino)propyl]-3-methyl-4-[4-(trifluoromethoxy)anilino]benzamide
CID 70810463
4-(3-methoxyanilino)-3-methyl-N-(3-methylbutyl)benzamide
CID 58173078
3-[(E)-2-phenylethenyl]-N-propylbenzamide
CID 67215100
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
3-[(3-acetamidobenzoyl)amino]-N-ethyl-4-methylbenzamide
CID 131938377
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-acetamido-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 86991520
3-[(E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]-N-propylbenzamide
CID 53250516
1-N-butyl-3-N-(4-chloro-2-methylphenyl)benzene-1,3-dicarboxamide
CID 109051168
5-[(E)-2-[3-[(3-amino-4-methylbenzoyl)amino]phenyl]ethenyl]pyridine-3-carboxamide
CID 135215453
N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
CID 82829925

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide?
The IUPAC name of N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide (CID 88991666) is N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide is CCNCCCNC(=O)c1ccc(Nc2cccc(/C=C/c3ccncc3)c2)c(C)c1.
What is the InChIKey of N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide?
The InChIKey is VPVUNJMLNBWHSZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C26H30N4O/c1-3-27-14-5-15-29-26(31)23-10-11-25(20(2)18-23)30-24-7-4-6-22(19-24)9-8-21-12-16-28-17-13-21/h4,6-13,16-19,27,30H,3,5,14-15H2,1-2H3,(H,29,31)/b9-8+.
What are the key properties of N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide?
N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide has a molecular weight of 414.55 g/mol, XLogP of 5.03, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-3-methyl-4-[3-[(E)-2-pyridin-4-ylethenyl]anilino]benzamide is sourced from PubChem (CID 88991666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).