N-butyl-2-(3,5-dimethoxyanilino)acetamide

C14H22N2O3 — CID 32913276

IUPACN-butyl-2-(3,5-dimethoxyanilino)acetamide
SMILESCCCCNC(=O)CNc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-5-6-15-14(17)10-16-11-7-12(18-2)9-13(8-11)19-3/h7-9,16H,4-6,10H2,1-3H3,(H,15,17)
InChIKeyQWMOZOCKJOJSRR-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.03
Rot. Bonds8

About N-butyl-2-(3,5-dimethoxyanilino)acetamide

N-butyl-2-(3,5-dimethoxyanilino)acetamide (PubChem CID 32913276) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-butyl-2-(3,5-dimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3,5-dimethoxyanilino)acetamide
PubChem CID32913276
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-butyl-2-(3,5-dimethoxyanilino)acetamide
SMILESCCCCNC(=O)CNc1cc(OC)cc(OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-5-6-15-14(17)10-16-11-7-12(18-2)9-13(8-11)19-3/h7-9,16H,4-6,10H2,1-3H3,(H,15,17)
InChIKeyQWMOZOCKJOJSRR-UHFFFAOYSA-N
XLogP2.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.03
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-bromo-5-methoxyanilino)-N-propylacetamide
CID 82868368
N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide
CID 109006089
1-butyl-3-(3,5-dimethoxyphenyl)urea
CID 47103671
2-(4-bromo-3-methoxyanilino)-N-butylacetamide
CID 79493403
2-(3-bromo-5-methoxyanilino)-N-ethylacetamide
CID 82867784
2-(3,5-dimethoxyphenoxy)-N-pentylacetamide
CID 112978560
N-butyl-3-(3-methoxyanilino)propanamide
CID 109012292
3,5-dimethoxy-N-pentylaniline
CID 28575532
2-(4-bromoanilino)-N-butylacetamide
CID 39385109
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
N-butyl-2-(3,4-diethoxyanilino)acetamide
CID 60672654
2-(2,5-dimethoxyanilino)-N-hexadecylacetamide
CID 54814998

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3,5-dimethoxyanilino)acetamide?
The IUPAC name of N-butyl-2-(3,5-dimethoxyanilino)acetamide (CID 32913276) is N-butyl-2-(3,5-dimethoxyanilino)acetamide.
What is the SMILES notation for N-butyl-2-(3,5-dimethoxyanilino)acetamide?
The canonical SMILES for N-butyl-2-(3,5-dimethoxyanilino)acetamide is CCCCNC(=O)CNc1cc(OC)cc(OC)c1.
What is the InChIKey of N-butyl-2-(3,5-dimethoxyanilino)acetamide?
The InChIKey is QWMOZOCKJOJSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-5-6-15-14(17)10-16-11-7-12(18-2)9-13(8-11)19-3/h7-9,16H,4-6,10H2,1-3H3,(H,15,17).
What are the key properties of N-butyl-2-(3,5-dimethoxyanilino)acetamide?
N-butyl-2-(3,5-dimethoxyanilino)acetamide has a molecular weight of 266.34 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,5-dimethoxyanilino)acetamide is sourced from PubChem (CID 32913276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).