N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide

C15H22N2O3 — CID 113060528

IUPACN-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
SMILESCCCC(=O)NCCN(C(C)=O)c1cccc(OC)c1
InChIInChI=1S/C15H22N2O3/c1-4-6-15(19)16-9-10-17(12(2)18)13-7-5-8-14(11-13)20-3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,19)
InChIKeyUAEALGAIISODPT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.96
Rot. Bonds7

About N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide

N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide (PubChem CID 113060528) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
PubChem CID113060528
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide
SMILESCCCC(=O)NCCN(C(C)=O)c1cccc(OC)c1
InChIInChI=1S/C15H22N2O3/c1-4-6-15(19)16-9-10-17(12(2)18)13-7-5-8-14(11-13)20-3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,19)
InChIKeyUAEALGAIISODPT-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide
CID 113057406
N-[2-(N-(3-methoxyphenyl)anilino)ethyl]butanamide
CID 24750071
3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113128887
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide
CID 113061147
3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128873
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3-methoxyphenyl)acetamide
CID 113060593
methyl 4-[acetyl-[2-(butanoylamino)ethyl]amino]benzoate
CID 113062014
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
N-[2-(N-acetyl-3-chloroanilino)ethyl]-3-methoxybenzamide
CID 113059525
N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113061572
3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113129028
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide
CID 113062638

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide?
The IUPAC name of N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide (CID 113060528) is N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide.
What is the SMILES notation for N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide?
The canonical SMILES for N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide is CCCC(=O)NCCN(C(C)=O)c1cccc(OC)c1.
What is the InChIKey of N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide?
The InChIKey is UAEALGAIISODPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-6-15(19)16-9-10-17(12(2)18)13-7-5-8-14(11-13)20-3/h5,7-8,11H,4,6,9-10H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide?
N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide has a molecular weight of 278.35 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-methoxyanilino)ethyl]butanamide is sourced from PubChem (CID 113060528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).