N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide

C27H32N4O — CID 6900909

IUPACN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)N/N=C/c2ccc(N(CC)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C27H32N4O/c1-4-30(5-2)25-18-14-24(15-19-25)27(32)29-28-20-22-12-16-26(17-13-22)31(6-3)21-23-10-8-7-9-11-23/h7-20H,4-6,21H2,1-3H3,(H,29,32)/b28-20+
InChIKeyFLBDLIRWQNSLBW-VFCFBJKWSA-N
MW428.58 g/mol
LogP5.32
Rot. Bonds10

About N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide

N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide (PubChem CID 6900909) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
PubChem CID6900909
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC NameN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
SMILESCCN(CC)c1ccc(C(=O)N/N=C/c2ccc(N(CC)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C27H32N4O/c1-4-30(5-2)25-18-14-24(15-19-25)27(32)29-28-20-22-12-16-26(17-13-22)31(6-3)21-23-10-8-7-9-11-23/h7-20H,4-6,21H2,1-3H3,(H,29,32)/b28-20+
InChIKeyFLBDLIRWQNSLBW-VFCFBJKWSA-N
XLogP5.32
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.32
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

N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide
CID 110506592
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-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 7966329
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-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
CID 119057126
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide?
The IUPAC name of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide (CID 6900909) is N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide.
What is the SMILES notation for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide?
The canonical SMILES for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide is CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(N(CC)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide?
The InChIKey is FLBDLIRWQNSLBW-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H32N4O/c1-4-30(5-2)25-18-14-24(15-19-25)27(32)29-28-20-22-12-16-26(17-13-22)31(6-3)21-23-10-8-7-9-11-23/h7-20H,4-6,21H2,1-3H3,(H,29,32)/b28-20+.
What are the key properties of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide?
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide has a molecular weight of 428.58 g/mol, XLogP of 5.32, 10 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]-4-(diethylamino)benzamide is sourced from PubChem (CID 6900909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).