N-butyl-3-(3-methoxyanilino)propanamide

C14H22N2O2 — CID 109012292

IUPACN-butyl-3-(3-methoxyanilino)propanamide
SMILESCCCCNC(=O)CCNc1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-16-14(17)8-10-15-12-6-5-7-13(11-12)18-2/h5-7,11,15H,3-4,8-10H2,1-2H3,(H,16,17)
InChIKeyPSSWJPFWYAQQJH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.41
Rot. Bonds8

About N-butyl-3-(3-methoxyanilino)propanamide

N-butyl-3-(3-methoxyanilino)propanamide (PubChem CID 109012292) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-butyl-3-(3-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-butyl-3-(3-methoxyanilino)propanamide
PubChem CID109012292
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-butyl-3-(3-methoxyanilino)propanamide
SMILESCCCCNC(=O)CCNc1cccc(OC)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-16-14(17)8-10-15-12-6-5-7-13(11-12)18-2/h5-7,11,15H,3-4,8-10H2,1-2H3,(H,16,17)
InChIKeyPSSWJPFWYAQQJH-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
3-(3-methoxyanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031059
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014
N-hexyl-3-methoxyaniline
CID 15500485
N-[(4-chlorophenyl)methyl]-3-(3-methoxyanilino)propanamide
CID 109021721
3-(3-methoxyanilino)propanamide
CID 43131962
N-butyl-3-(2-methoxyanilino)propanamide
CID 109012291
N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 112998618
4-(3-methoxyphenoxy)-N-pentylbutanamide
CID 110486945
N-butyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109012336
3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414
2-[[2-(butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8594560

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(3-methoxyanilino)propanamide?
The IUPAC name of N-butyl-3-(3-methoxyanilino)propanamide (CID 109012292) is N-butyl-3-(3-methoxyanilino)propanamide.
What is the SMILES notation for N-butyl-3-(3-methoxyanilino)propanamide?
The canonical SMILES for N-butyl-3-(3-methoxyanilino)propanamide is CCCCNC(=O)CCNc1cccc(OC)c1.
What is the InChIKey of N-butyl-3-(3-methoxyanilino)propanamide?
The InChIKey is PSSWJPFWYAQQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-9-16-14(17)8-10-15-12-6-5-7-13(11-12)18-2/h5-7,11,15H,3-4,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-butyl-3-(3-methoxyanilino)propanamide?
N-butyl-3-(3-methoxyanilino)propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(3-methoxyanilino)propanamide is sourced from PubChem (CID 109012292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).