4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide

C21H25N3O2 — CID 9156146

IUPAC4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)/C=C/c2ccccc2C)cc1
InChIInChI=1S/C21H25N3O2/c1-4-24(5-2)19-13-10-18(11-14-19)21(26)23-22-20(25)15-12-17-9-7-6-8-16(17)3/h6-15H,4-5H2,1-3H3,(H,22,25)(H,23,26)/b15-12+
InChIKeyVTPUQEFOLCAGSA-NTCAYCPXSA-N
MW351.45 g/mol
LogP3.32
Rot. Bonds6

About 4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide

4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 9156146) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
PubChem CID9156146
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
SMILESCCN(CC)c1ccc(C(=O)NNC(=O)/C=C/c2ccccc2C)cc1
InChIInChI=1S/C21H25N3O2/c1-4-24(5-2)19-13-10-18(11-14-19)21(26)23-22-20(25)15-12-17-9-7-6-8-16(17)3/h6-15H,4-5H2,1-3H3,(H,22,25)(H,23,26)/b15-12+
InChIKeyVTPUQEFOLCAGSA-NTCAYCPXSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-methylphenyl)prop-2-enoyl]-4-nitrobenzohydrazide
CID 9314775
3,5-dimethoxy-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9496126
4-(diethylamino)-N'-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 4219280
N'-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enoyl]-4-(diethylamino)benzohydrazide
CID 8968723
2-chloro-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide
CID 9339631
1-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]-3-phenylthiourea
CID 24644060
methyl 4-[[[4-(diethylamino)benzoyl]amino]carbamoyl]benzoate
CID 9156446
N-[1-[2-[4-(diethylamino)benzoyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 18280098
4-(diethylamino)-N'-(2,2-diphenylacetyl)benzohydrazide
CID 7551714
N-[4-[[3-(2-chlorophenyl)prop-2-enoylamino]carbamoyl]phenyl]acetamide
CID 4506938
N-[4-[[3-(2-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]propanamide
CID 5020772

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide (CID 9156146) is 4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide is CCN(CC)c1ccc(C(=O)NNC(=O)/C=C/c2ccccc2C)cc1.
What is the InChIKey of 4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is VTPUQEFOLCAGSA-NTCAYCPXSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-24(5-2)19-13-10-18(11-14-19)21(26)23-22-20(25)15-12-17-9-7-6-8-16(17)3/h6-15H,4-5H2,1-3H3,(H,22,25)(H,23,26)/b15-12+.
What are the key properties of 4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide?
4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 351.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N'-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 9156146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).