N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C19H27N3O4 — CID 4925440

IUPACN-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)CNC(=O)C2CCCCC2)c1
InChIInChI=1S/C19H27N3O4/c1-13-8-9-14(2)16(10-13)26-12-18(24)22-21-17(23)11-20-19(25)15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyIQPNQOXHYONMJL-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.53
Rot. Bonds6

About N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 4925440) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID4925440
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCc1ccc(C)c(OCC(=O)NNC(=O)CNC(=O)C2CCCCC2)c1
InChIInChI=1S/C19H27N3O4/c1-13-8-9-14(2)16(10-13)26-12-18(24)22-21-17(23)11-20-19(25)15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyIQPNQOXHYONMJL-UHFFFAOYSA-N
XLogP1.53
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.53
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-[2-(4-bromo-3-methylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925438
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925419
1-(3,5-dimethylbenzoyl)-N'-[2-(2,5-dimethylphenoxy)acetyl]piperidine-3-carbohydrazide
CID 55786936
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N-[4-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 3495457
N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 42938277
(3R)-N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 35819953
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422
N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46429748

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 4925440) is N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is Cc1ccc(C)c(OCC(=O)NNC(=O)CNC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is IQPNQOXHYONMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13-8-9-14(2)16(10-13)26-12-18(24)22-21-17(23)11-20-19(25)15-6-4-3-5-7-15/h8-10,15H,3-7,11-12H2,1-2H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4925440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).