N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide

C16H24N2O2 — CID 113057534

IUPACN-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)11-16(20)17-9-10-18(14(4)19)15-7-5-13(3)6-8-15/h5-8,12H,9-11H2,1-4H3,(H,17,20)
InChIKeyRHSZBQIKEUXZIK-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.51
Rot. Bonds6

About N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide

N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide (PubChem CID 113057534) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
PubChem CID113057534
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
SMILESCC(=O)N(CCNC(=O)CC(C)C)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)11-16(20)17-9-10-18(14(4)19)15-7-5-13(3)6-8-15/h5-8,12H,9-11H2,1-4H3,(H,17,20)
InChIKeyRHSZBQIKEUXZIK-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide
CID 113060337
N-[2-(N,4-diacetylanilino)ethyl]-3-methylbutanamide
CID 113061635
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-3-methylbutanamide
CID 113057868
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-methylbutanamide
CID 113064598
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-3-methylbutanamide
CID 113061293
N-[2-(N-acetyl-4-methylanilino)ethyl]-2,2-diphenylacetamide
CID 113057558
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598
2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113167666
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799
N-[2-(N-acetyl-3,4-dimethylanilino)ethyl]-2-(4-methylphenyl)acetamide
CID 113057921
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-2-(4-methylphenyl)acetamide
CID 113061521
methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113062028

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide (CID 113057534) is N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide is CC(=O)N(CCNC(=O)CC(C)C)c1ccc(C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide?
The InChIKey is RHSZBQIKEUXZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)11-16(20)17-9-10-18(14(4)19)15-7-5-13(3)6-8-15/h5-8,12H,9-11H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide?
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113057534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).