N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide

C19H23N3O2 — CID 8907587

IUPACN'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide
SMILESCCc1ccc(CN(C)CC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-3-15-9-11-16(12-10-15)13-22(2)14-18(23)20-21-19(24)17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyBLCIGVLGHHTCAF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.14
Rot. Bonds6

About N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide

N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide (PubChem CID 8907587) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide
PubChem CID8907587
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide
SMILESCCc1ccc(CN(C)CC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H23N3O2/c1-3-15-9-11-16(12-10-15)13-22(2)14-18(23)20-21-19(24)17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyBLCIGVLGHHTCAF-UHFFFAOYSA-N
XLogP2.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide
CID 9251458
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]acetic acid
CID 43442467
N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide
CID 2698674
2-[[2-(2-benzoylhydrazinyl)-2-oxoethyl]-methylamino]-N-tert-butylacetamide
CID 8767118
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
N'-[2-[methyl(propan-2-yl)amino]acetyl]benzohydrazide
CID 47123165
N'-[2-[(2-methoxy-5-methylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8805511
3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 33437863
N'-[2-(4-propylphenyl)acetyl]benzohydrazide
CID 134106335
N'-(4-ethylbenzoyl)-3-fluorobenzohydrazide
CID 7759216
N'-[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]acetyl]benzohydrazide
CID 9435447
N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide
CID 8540470

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide (CID 8907587) is N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide is CCc1ccc(CN(C)CC(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide?
The InChIKey is BLCIGVLGHHTCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-15-9-11-16(12-10-15)13-22(2)14-18(23)20-21-19(24)17-7-5-4-6-8-17/h4-12H,3,13-14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide?
N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide has a molecular weight of 325.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide is sourced from PubChem (CID 8907587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).