N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide

C24H29N3O5 — CID 57131253

IUPACN'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCN(C(=O)C(N)=O)c2ccc(NC(C)=O)cc2)cc1OC1CCCC1
InChIInChI=1S/C24H29N3O5/c1-16(28)26-18-8-10-19(11-9-18)27(24(30)23(25)29)14-13-17-7-12-21(31-2)22(15-17)32-20-5-3-4-6-20/h7-12,15,20H,3-6,13-14H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyJFSDYHZTYRKGBH-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.04
Rot. Bonds8

About N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide

N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide (PubChem CID 57131253) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide
PubChem CID57131253
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC NameN'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCN(C(=O)C(N)=O)c2ccc(NC(C)=O)cc2)cc1OC1CCCC1
InChIInChI=1S/C24H29N3O5/c1-16(28)26-18-8-10-19(11-9-18)27(24(30)23(25)29)14-13-17-7-12-21(31-2)22(15-17)32-20-5-3-4-6-20/h7-12,15,20H,3-6,13-14H2,1-2H3,(H2,25,29)(H,26,28)
InChIKeyJFSDYHZTYRKGBH-UHFFFAOYSA-N
XLogP3.04
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
CID 142662106
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
CID 23222832
N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
N-(4-acetamidophenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide
CID 110194272
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]acetamide
CID 112984068
2-[4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide
CID 5092280
tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 19707495
5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide
CID 120630970

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide (CID 57131253) is N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCN(C(=O)C(N)=O)c2ccc(NC(C)=O)cc2)cc1OC1CCCC1.
What is the InChIKey of N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide?
The InChIKey is JFSDYHZTYRKGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-16(28)26-18-8-10-19(11-9-18)27(24(30)23(25)29)14-13-17-7-12-21(31-2)22(15-17)32-20-5-3-4-6-20/h7-12,15,20H,3-6,13-14H2,1-2H3,(H2,25,29)(H,26,28).
What are the key properties of N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide?
N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide has a molecular weight of 439.51 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 57131253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).