2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide

C21H28N2O3 — CID 134039373

IUPAC2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1ccc(Oc2ccccc2OC)cc1
InChIInChI=1S/C21H28N2O3/c1-4-5-8-15-22-21(24)16(2)23-17-11-13-18(14-12-17)26-20-10-7-6-9-19(20)25-3/h6-7,9-14,16,23H,4-5,8,15H2,1-3H3,(H,22,24)
InChIKeyDYZRUEHTICYHEW-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.59
Rot. Bonds10

About 2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide

2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide (PubChem CID 134039373) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide
PubChem CID134039373
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1ccc(Oc2ccccc2OC)cc1
InChIInChI=1S/C21H28N2O3/c1-4-5-8-15-22-21(24)16(2)23-17-11-13-18(14-12-17)26-20-10-7-6-9-19(20)25-3/h6-7,9-14,16,23H,4-5,8,15H2,1-3H3,(H,22,24)
InChIKeyDYZRUEHTICYHEW-UHFFFAOYSA-N
XLogP4.59
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763
2-(3-bromo-4-methoxyanilino)-N-pentylpropanamide
CID 63996831
2-[(6-methoxy-3-pyridinyl)amino]-N-pentylpropanamide
CID 43114026
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025
(2R)-2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41016115
2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17396421
2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide
CID 82867453
ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate
CID 60542297
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide?
The IUPAC name of 2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide (CID 134039373) is 2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide.
What is the SMILES notation for 2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide?
The canonical SMILES for 2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide is CCCCCNC(=O)C(C)Nc1ccc(Oc2ccccc2OC)cc1.
What is the InChIKey of 2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide?
The InChIKey is DYZRUEHTICYHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-5-8-15-22-21(24)16(2)23-17-11-13-18(14-12-17)26-20-10-7-6-9-19(20)25-3/h6-7,9-14,16,23H,4-5,8,15H2,1-3H3,(H,22,24).
What are the key properties of 2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide?
2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide has a molecular weight of 356.47 g/mol, XLogP of 4.59, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide is sourced from PubChem (CID 134039373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).