N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide

C22H30N4O2 — CID 56503126

IUPACN'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide
SMILESCCN(c1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2C)cc1)C(C)C
InChIInChI=1S/C22H30N4O2/c1-6-26(15(2)3)19-10-8-18(9-11-19)22(28)25-24-21(27)14-23-20-12-7-16(4)13-17(20)5/h7-13,15,23H,6,14H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyKWXGWFBGDRMWBA-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.41
Rot. Bonds7

About N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide

N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide (PubChem CID 56503126) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide
PubChem CID56503126
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC NameN'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide
SMILESCCN(c1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2C)cc1)C(C)C
InChIInChI=1S/C22H30N4O2/c1-6-26(15(2)3)19-10-8-18(9-11-19)22(28)25-24-21(27)14-23-20-12-7-16(4)13-17(20)5/h7-13,15,23H,6,14H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyKWXGWFBGDRMWBA-UHFFFAOYSA-N
XLogP3.41
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
CID 51429705
N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9273255
N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]propane-1-sulfonamide
CID 56504014
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 7923263
N'-[2-(2,4-dimethylanilino)acetyl]-4-(3,4-dimethylphenyl)-4-oxobutanehydrazide
CID 55406874
4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9088365
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
N'-[2-(2,4-dimethylanilino)acetyl]-2-phenylmethoxypyridine-4-carbohydrazide
CID 56503764
N-[3-[[[2-(2,4-dimethylanilino)acetyl]amino]carbamoyl]phenyl]benzenesulfonamide
CID 55348082
4-(cyclopropylamino)-N'-[2-(2,4-dimethylanilino)acetyl]-3-nitrobenzohydrazide
CID 9432237
2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 9432559
(E)-N'-[2-(2,4-dimethylanilino)acetyl]-3-(4-methylphenyl)prop-2-enehydrazide
CID 9432686

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide (CID 56503126) is N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide is CCN(c1ccc(C(=O)NNC(=O)CNc2ccc(C)cc2C)cc1)C(C)C.
What is the InChIKey of N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide?
The InChIKey is KWXGWFBGDRMWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-6-26(15(2)3)19-10-8-18(9-11-19)22(28)25-24-21(27)14-23-20-12-7-16(4)13-17(20)5/h7-13,15,23H,6,14H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide?
N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide has a molecular weight of 382.51 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide is sourced from PubChem (CID 56503126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).