N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide

C18H27N3O2 — CID 4729190

IUPACN,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide
SMILESCc1ccc(NNC(=O)CC2(CC(=O)N(C)C)CCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-14-6-8-15(9-7-14)19-20-16(22)12-18(10-4-5-11-18)13-17(23)21(2)3/h6-9,19H,4-5,10-13H2,1-3H3,(H,20,22)
InChIKeyPUFUYGYJTWJXGC-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.87
Rot. Bonds6

About N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide

N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide (PubChem CID 4729190) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide
PubChem CID4729190
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide
SMILESCc1ccc(NNC(=O)CC2(CC(=O)N(C)C)CCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-14-6-8-15(9-7-14)19-20-16(22)12-18(10-4-5-11-18)13-17(23)21(2)3/h6-9,19H,4-5,10-13H2,1-3H3,(H,20,22)
InChIKeyPUFUYGYJTWJXGC-UHFFFAOYSA-N
XLogP2.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.87
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

2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]-N-(4-methoxyphenyl)acetamide
CID 4501300
N-(2-benzoyl-4-methylphenyl)-2-[1-[2-(dimethylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 4729182
2-fluoro-N'-(4-methylphenyl)acetohydrazide
CID 23176925
ethyl 3-[2-(4-methylphenyl)hydrazinyl]-3-oxopropanoate
CID 91299813
2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 115669668
1-hydroxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 110890174
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 62006539
N-methyl-2-[1-(4-methylphenyl)cyclopentyl]acetamide
CID 59020002
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(4-methylphenyl)acetamide
CID 104678097
N-methyl-N-[[1-(4-methylphenyl)cyclopentyl]methyl]acetamide
CID 59019943
3-(dimethylamino)-3-imino-N-(4-methylphenyl)propanamide
CID 574839

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide (CID 4729190) is N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide is Cc1ccc(NNC(=O)CC2(CC(=O)N(C)C)CCCC2)cc1.
What is the InChIKey of N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide?
The InChIKey is PUFUYGYJTWJXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-6-8-15(9-7-14)19-20-16(22)12-18(10-4-5-11-18)13-17(23)21(2)3/h6-9,19H,4-5,10-13H2,1-3H3,(H,20,22).
What are the key properties of N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide?
N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[2-[2-(4-methylphenyl)hydrazinyl]-2-oxoethyl]cyclopentyl]acetamide is sourced from PubChem (CID 4729190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).