2-(4-butan-2-yloxyanilino)-N-propylpropanamide

C16H26N2O2 — CID 3030788

IUPAC2-(4-butan-2-yloxyanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(OC(C)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-5-11-17-16(19)13(4)18-14-7-9-15(10-8-14)20-12(3)6-2/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,17,19)
InChIKeySXUVSGVSWROAOJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.19
Rot. Bonds8

About 2-(4-butan-2-yloxyanilino)-N-propylpropanamide

2-(4-butan-2-yloxyanilino)-N-propylpropanamide (PubChem CID 3030788) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(4-butan-2-yloxyanilino)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-butan-2-yloxyanilino)-N-propylpropanamide
PubChem CID3030788
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(4-butan-2-yloxyanilino)-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccc(OC(C)CC)cc1
InChIInChI=1S/C16H26N2O2/c1-5-11-17-16(19)13(4)18-14-7-9-15(10-8-14)20-12(3)6-2/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,17,19)
InChIKeySXUVSGVSWROAOJ-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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'}

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Related Compounds

2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199
N-(2-methoxyethyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123159
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60676702
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172
N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide
CID 43123138
(2R)-2-[4-(2-methylpyrimidin-4-yl)oxyanilino]-N-propylpropanamide
CID 97321399
2-(4-butan-2-yloxyanilino)-N-ethylacetamide
CID 54830292

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yloxyanilino)-N-propylpropanamide?
The IUPAC name of 2-(4-butan-2-yloxyanilino)-N-propylpropanamide (CID 3030788) is 2-(4-butan-2-yloxyanilino)-N-propylpropanamide.
What is the SMILES notation for 2-(4-butan-2-yloxyanilino)-N-propylpropanamide?
The canonical SMILES for 2-(4-butan-2-yloxyanilino)-N-propylpropanamide is CCCNC(=O)C(C)Nc1ccc(OC(C)CC)cc1.
What is the InChIKey of 2-(4-butan-2-yloxyanilino)-N-propylpropanamide?
The InChIKey is SXUVSGVSWROAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-11-17-16(19)13(4)18-14-7-9-15(10-8-14)20-12(3)6-2/h7-10,12-13,18H,5-6,11H2,1-4H3,(H,17,19).
What are the key properties of 2-(4-butan-2-yloxyanilino)-N-propylpropanamide?
2-(4-butan-2-yloxyanilino)-N-propylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yloxyanilino)-N-propylpropanamide is sourced from PubChem (CID 3030788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).