N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide

C22H26N2O4 — CID 9475903

IUPACN'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
SMILESCCCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-4-5-14-28-19-12-8-17(15-20(19)27-3)9-13-21(25)23-24-22(26)18-10-6-16(2)7-11-18/h6-13,15H,4-5,14H2,1-3H3,(H,23,25)(H,24,26)/b13-9+
InChIKeyOOLLLEOLTAZKHC-UKTHLTGXSA-N
MW382.46 g/mol
LogP3.66
Rot. Bonds8

About N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide

N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide (PubChem CID 9475903) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
PubChem CID9475903
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
SMILESCCCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H26N2O4/c1-4-5-14-28-19-12-8-17(15-20(19)27-3)9-13-21(25)23-24-22(26)18-10-6-16(2)7-11-18/h6-13,15H,4-5,14H2,1-3H3,(H,23,25)(H,24,26)/b13-9+
InChIKeyOOLLLEOLTAZKHC-UKTHLTGXSA-N
XLogP3.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N'-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-3-methoxybenzohydrazide
CID 9440084
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]pyridine-2-carbohydrazide
CID 9331127
(E)-3-(4-butoxy-3-methoxyphenyl)-N-propylprop-2-enamide
CID 52892563
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide
CID 6232483
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-hydroxy-4-methylphenyl)prop-2-enamide
CID 9495445
4-butoxy-3-methoxy-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 9440087
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044
4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4219280
3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 3271455
2-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 102535095
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 21322652

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide?
The IUPAC name of N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide (CID 9475903) is N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide?
The canonical SMILES for N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide is CCCCOc1ccc(/C=C/C(=O)NNC(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide?
The InChIKey is OOLLLEOLTAZKHC-UKTHLTGXSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-5-14-28-19-12-8-17(15-20(19)27-3)9-13-21(25)23-24-22(26)18-10-6-16(2)7-11-18/h6-13,15H,4-5,14H2,1-3H3,(H,23,25)(H,24,26)/b13-9+.
What are the key properties of N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide?
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide has a molecular weight of 382.46 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide is sourced from PubChem (CID 9475903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).