N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

C31H34N4O2 — CID 3093073

IUPACN-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
SMILESCCCN(CCC)c1ccc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C31H34N4O2/c1-3-22-35(23-4-2)28-20-18-26(19-21-28)24-32-34-31(37)29(17-11-14-25-12-7-5-8-13-25)33-30(36)27-15-9-6-10-16-27/h5-21,24H,3-4,22-23H2,1-2H3,(H,33,36)(H,34,37)
InChIKeyMQWLHKRPHDLEDO-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.79
Rot. Bonds12

About N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide (PubChem CID 3093073) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
PubChem CID3093073
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC NameN-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
SMILESCCCN(CCC)c1ccc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)cc1
InChIInChI=1S/C31H34N4O2/c1-3-22-35(23-4-2)28-20-18-26(19-21-28)24-32-34-31(37)29(17-11-14-25-12-7-5-8-13-25)33-30(36)27-15-9-6-10-16-27/h5-21,24H,3-4,22-23H2,1-2H3,(H,33,36)(H,34,37)
InChIKeyMQWLHKRPHDLEDO-UHFFFAOYSA-N
XLogP5.79
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-benzylidenehydrazinyl)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2858617
N-[1-[4-(dimethylamino)phenyl]-3-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 3892833
N-[1-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2860711
N-[(E)-3-[(2Z)-2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 6385489
N-[(2Z,4E)-1-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 135852207
N-[1-oxo-5-phenyl-1-[2-(thiophen-2-ylmethylidene)hydrazinyl]penta-2,4-dien-2-yl]benzamide
CID 2861022
N-[(Z)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]benzamide
CID 6187802
N-[1-[(2E)-2-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 135822072
N-[(E)-3-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 53305033
N-[(E)-1-[4-(dimethylamino)phenyl]-3-[2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 129441365
N-[(2Z,4E)-1-[(2E)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 5342136
N-[(2Z,4Z)-1-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 129439642

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The IUPAC name of N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide (CID 3093073) is N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The canonical SMILES for N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is CCCN(CCC)c1ccc(C=NNC(=O)C(=CC=Cc2ccccc2)NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The InChIKey is MQWLHKRPHDLEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-3-22-35(23-4-2)28-20-18-26(19-21-28)24-32-34-31(37)29(17-11-14-25-12-7-5-8-13-25)33-30(36)27-15-9-6-10-16-27/h5-21,24H,3-4,22-23H2,1-2H3,(H,33,36)(H,34,37).
What are the key properties of N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide has a molecular weight of 494.64 g/mol, XLogP of 5.79, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[4-(dipropylamino)phenyl]methylidene]hydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is sourced from PubChem (CID 3093073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).