4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide

C22H27N3O4 — CID 4219280

IUPAC4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)C=Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C22H27N3O4/c1-5-25(6-2)18-11-9-17(10-12-18)22(27)24-23-21(26)14-8-16-7-13-19(28-3)20(15-16)29-4/h7-15H,5-6H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyWVVRHYPHOBRPNM-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.02
Rot. Bonds8

About 4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide

4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 4219280) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
PubChem CID4219280
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)C=Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C22H27N3O4/c1-5-25(6-2)18-11-9-17(10-12-18)22(27)24-23-21(26)14-8-16-7-13-19(28-3)20(15-16)29-4/h7-15H,5-6H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyWVVRHYPHOBRPNM-UHFFFAOYSA-N
XLogP3.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(E)-3-(4-bromophenyl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
CID 9155917
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide
CID 6232483
N-[4-(diethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183385
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 9475903
N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 3503986
(E)-3-(3-bromo-4-methoxyphenyl)-N-[4-(diethylamino)phenyl]prop-2-enamide
CID 1183447
(E)-3-(3,4-dimethoxyphenyl)-N-hydroxyprop-2-enamide
CID 6433880
N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 2330939
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-methylbenzohydrazide
CID 923611
4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9156146
4-methoxy-N'-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 7948325
3-(3,4-dimethoxyphenyl)-N-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 3832642

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide (CID 4219280) is 4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)C=Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is WVVRHYPHOBRPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-5-25(6-2)18-11-9-17(10-12-18)22(27)24-23-21(26)14-8-16-7-13-19(28-3)20(15-16)29-4/h7-15H,5-6H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide?
4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 397.48 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 4219280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).