N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide

C26H26N4O — CID 110526717

IUPACN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2cc3ccccc3n2C)cc1
InChIInChI=1S/C26H26N4O/c1-3-30(19-21-9-5-4-6-10-21)23-15-13-20(14-16-23)18-27-28-26(31)25-17-22-11-7-8-12-24(22)29(25)2/h4-18H,3,19H2,1-2H3,(H,28,31)/b27-18+
InChIKeyCDKFGXKZGRDNCF-OVVQPSECSA-N
MW410.52 g/mol
LogP4.97
Rot. Bonds7

About N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide

N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide (PubChem CID 110526717) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide
PubChem CID110526717
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC NameN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2cc3ccccc3n2C)cc1
InChIInChI=1S/C26H26N4O/c1-3-30(19-21-9-5-4-6-10-21)23-15-13-20(14-16-23)18-27-28-26(31)25-17-22-11-7-8-12-24(22)29(25)2/h4-18H,3,19H2,1-2H3,(H,28,31)/b27-18+
InChIKeyCDKFGXKZGRDNCF-OVVQPSECSA-N
XLogP4.97
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]indole-2-carboxamide
CID 110526774
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
CID 2361352
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 7966329
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 6901552
N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide
CID 4281813
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide
CID 110506592
[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]thiourea
CID 6902327
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-methylindole-2-carboxamide
CID 110526735
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide (CID 110526717) is N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide is CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2cc3ccccc3n2C)cc1.
What is the InChIKey of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide?
The InChIKey is CDKFGXKZGRDNCF-OVVQPSECSA-N. The full InChI is InChI=1S/C26H26N4O/c1-3-30(19-21-9-5-4-6-10-21)23-15-13-20(14-16-23)18-27-28-26(31)25-17-22-11-7-8-12-24(22)29(25)2/h4-18H,3,19H2,1-2H3,(H,28,31)/b27-18+.
What are the key properties of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide?
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide is sourced from PubChem (CID 110526717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).