N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide

C15H22N2O3 — CID 4694962

IUPACN-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide
SMILESCCCCNC(=O)COCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H22N2O3/c1-3-4-9-16-14(18)10-20-11-15(19)17-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHRPSZLYOFUOXHH-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.87
Rot. Bonds8

About N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide

N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide (PubChem CID 4694962) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide
PubChem CID4694962
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide
SMILESCCCCNC(=O)COCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H22N2O3/c1-3-4-9-16-14(18)10-20-11-15(19)17-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHRPSZLYOFUOXHH-UHFFFAOYSA-N
XLogP1.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.87
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

2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
N-(4-methylphenyl)pentanamide
CID 3662375
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide
CID 50979662
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
CID 123319122
CID 161252204
CID 161252204
N-butyl-2-phenylmethoxyacetamide
CID 126717674
3-(4-methylanilino)-N-pentylpropanamide
CID 109032122
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
N-(4-butylphenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 19167555
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide?
The IUPAC name of N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide (CID 4694962) is N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide.
What is the SMILES notation for N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide?
The canonical SMILES for N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide is CCCCNC(=O)COCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide?
The InChIKey is HRPSZLYOFUOXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-4-9-16-14(18)10-20-11-15(19)17-13-7-5-12(2)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide?
N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide is sourced from PubChem (CID 4694962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).