N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide

C29H38N2O2 — CID 173369438

IUPACN'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide
SMILESCC(=O)N(CC1CCCC1)N(c1ccccc1)C(C(C)=O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C29H38N2O2/c1-23(32)29(26-16-6-3-7-17-26,27-18-8-4-9-19-27)31(28-20-10-5-11-21-28)30(24(2)33)22-25-14-12-13-15-25/h3,5-7,10-11,16-17,20-21,25,27H,4,8-9,12-15,18-19,22H2,1-2H3
InChIKeyJDEJUGIZJNRXKM-UHFFFAOYSA-N
MW446.64 g/mol
LogP6.51
Rot. Bonds8

About N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide

N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide (PubChem CID 173369438) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide.

Molecular Properties

Compound NameN'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide
PubChem CID173369438
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC NameN'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide
SMILESCC(=O)N(CC1CCCC1)N(c1ccccc1)C(C(C)=O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C29H38N2O2/c1-23(32)29(26-16-6-3-7-17-26,27-18-8-4-9-19-27)31(28-20-10-5-11-21-28)30(24(2)33)22-25-14-12-13-15-25/h3,5-7,10-11,16-17,20-21,25,27H,4,8-9,12-15,18-19,22H2,1-2H3
InChIKeyJDEJUGIZJNRXKM-UHFFFAOYSA-N
XLogP6.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 56.51
H-Bond Donors ≤ 50
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-ethyl-N,1-diphenylcyclopentane-1-carboxamide
CID 46891302
1,4,5-Triphenylpyrrolidine-2,3-dione
CID 230436
Antipyrine, 4-(2-benzoylvinyl)-
CID 6433638
3,5-Pyrazolidinedione, 1,2,4-triphenyl-
CID 213501
n-(2-Oxo-1,2-diphenylethyl)-n-phenylacetamide
CID 219254
(2S)-N-benzyl-2-(cyclohexylmethyl)-N-phenylbutanamide
CID 42601247
4,4'-(phenylmethanediyl)bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
CID 2829402
Antipyrine, 4-((p-phenylphenacylidene)amino)-
CID 212506
Antipyrine, 4-(2-(p-toluoyl)vinyl)-
CID 6433853
Antipyrine, 4-(2-benzoylpropenyl)-
CID 6433854
Antipyrine, 4-(beta-acetylstyryl)-
CID 6433855
4-(N-methylanilino)-3-oxo-2-phenylbutanamide
CID 266177

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide?
The IUPAC name of N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide (CID 173369438) is N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide.
What is the SMILES notation for N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide?
The canonical SMILES for N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide is CC(=O)N(CC1CCCC1)N(c1ccccc1)C(C(C)=O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide?
The InChIKey is JDEJUGIZJNRXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O2/c1-23(32)29(26-16-6-3-7-17-26,27-18-8-4-9-19-27)31(28-20-10-5-11-21-28)30(24(2)33)22-25-14-12-13-15-25/h3,5-7,10-11,16-17,20-21,25,27H,4,8-9,12-15,18-19,22H2,1-2H3.
What are the key properties of N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide?
N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide has a molecular weight of 446.64 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclohexyl-2-oxo-1-phenylpropyl)-N-(cyclopentylmethyl)-N'-phenylacetohydrazide is sourced from PubChem (CID 173369438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).