N-butyl-2-(4-propoxyanilino)propanamide

C16H26N2O2 — CID 62329025

IUPACN-butyl-2-(4-propoxyanilino)propanamide
SMILESCCCCNC(=O)C(C)Nc1ccc(OCCC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-6-11-17-16(19)13(3)18-14-7-9-15(10-8-14)20-12-5-2/h7-10,13,18H,4-6,11-12H2,1-3H3,(H,17,19)
InChIKeyOLJSSQHBGLXABA-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.19
Rot. Bonds9

About N-butyl-2-(4-propoxyanilino)propanamide

N-butyl-2-(4-propoxyanilino)propanamide (PubChem CID 62329025) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butyl-2-(4-propoxyanilino)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4-propoxyanilino)propanamide
PubChem CID62329025
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-butyl-2-(4-propoxyanilino)propanamide
SMILESCCCCNC(=O)C(C)Nc1ccc(OCCC)cc1
InChIInChI=1S/C16H26N2O2/c1-4-6-11-17-16(19)13(3)18-14-7-9-15(10-8-14)20-12-5-2/h7-10,13,18H,4-6,11-12H2,1-3H3,(H,17,19)
InChIKeyOLJSSQHBGLXABA-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-prop-2-enyl-2-(4-propoxyanilino)propanamide
CID 62328512
N-butyl-2-(4-chloroanilino)propanamide
CID 43112925
N-butyl-4-propoxybenzamide
CID 17142951
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide
CID 134039373
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
2-(4-butan-2-yloxyanilino)-N-propylpropanamide
CID 3030788
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
N-hexan-2-yl-4-propoxyaniline
CID 21311820
N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60720263
ethyl N-[4-[[1-oxo-1-(pentylamino)propan-2-yl]amino]phenyl]carbamate
CID 60542297

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-propoxyanilino)propanamide?
The IUPAC name of N-butyl-2-(4-propoxyanilino)propanamide (CID 62329025) is N-butyl-2-(4-propoxyanilino)propanamide.
What is the SMILES notation for N-butyl-2-(4-propoxyanilino)propanamide?
The canonical SMILES for N-butyl-2-(4-propoxyanilino)propanamide is CCCCNC(=O)C(C)Nc1ccc(OCCC)cc1.
What is the InChIKey of N-butyl-2-(4-propoxyanilino)propanamide?
The InChIKey is OLJSSQHBGLXABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-6-11-17-16(19)13(3)18-14-7-9-15(10-8-14)20-12-5-2/h7-10,13,18H,4-6,11-12H2,1-3H3,(H,17,19).
What are the key properties of N-butyl-2-(4-propoxyanilino)propanamide?
N-butyl-2-(4-propoxyanilino)propanamide has a molecular weight of 278.40 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-propoxyanilino)propanamide is sourced from PubChem (CID 62329025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).