2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide

C20H23N3O5 — CID 37231406

IUPAC2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H23N3O5/c1-27-19-12-15(23(25)26)9-10-18(19)22-20(24)13-21-14-5-4-8-17(11-14)28-16-6-2-3-7-16/h4-5,8-12,16,21H,2-3,6-7,13H2,1H3,(H,22,24)
InChIKeySIGNRZJZUHYQOX-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.98
Rot. Bonds8

About 2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide

2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide (PubChem CID 37231406) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
PubChem CID37231406
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H23N3O5/c1-27-19-12-15(23(25)26)9-10-18(19)22-20(24)13-21-14-5-4-8-17(11-14)28-16-6-2-3-7-16/h4-5,8-12,16,21H,2-3,6-7,13H2,1H3,(H,22,24)
InChIKeySIGNRZJZUHYQOX-UHFFFAOYSA-N
XLogP3.98
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-4-nitrophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 4792980
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
2-(2,6-dimethylanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 30706268
N-(3-chloro-2-methylphenyl)-2-(3-cyclopentyloxyanilino)acetamide
CID 37231284
2-(4-ethoxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 134008031
2-(cyclooctylamino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9265449
2-(ethylamino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 60641116
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 38300922
2-(3-cyclopentyloxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 37231455
N-(2-cyclohexyloxy-4-nitrophenyl)acetamide
CID 46830015
2,6-dimethoxy-N-(2-methoxy-4-nitrophenyl)benzamide
CID 4285710
2-(4-chloro-2-fluoroanilino)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 4786705

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The IUPAC name of 2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide (CID 37231406) is 2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cccc(OC2CCCC2)c1.
What is the InChIKey of 2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
The InChIKey is SIGNRZJZUHYQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-27-19-12-15(23(25)26)9-10-18(19)22-20(24)13-21-14-5-4-8-17(11-14)28-16-6-2-3-7-16/h4-5,8-12,16,21H,2-3,6-7,13H2,1H3,(H,22,24).
What are the key properties of 2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide?
2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxyanilino)-N-(2-methoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 37231406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).