N-butan-2-yl-2-(3-hexoxyanilino)acetamide

C18H30N2O2 — CID 54823184

IUPACN-butan-2-yl-2-(3-hexoxyanilino)acetamide
SMILESCCCCCCOc1cccc(NCC(=O)NC(C)CC)c1
InChIInChI=1S/C18H30N2O2/c1-4-6-7-8-12-22-17-11-9-10-16(13-17)19-14-18(21)20-15(3)5-2/h9-11,13,15,19H,4-8,12,14H2,1-3H3,(H,20,21)
InChIKeyOCQMZOLXNFNTEL-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.97
Rot. Bonds11

About N-butan-2-yl-2-(3-hexoxyanilino)acetamide

N-butan-2-yl-2-(3-hexoxyanilino)acetamide (PubChem CID 54823184) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-butan-2-yl-2-(3-hexoxyanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(3-hexoxyanilino)acetamide
PubChem CID54823184
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-butan-2-yl-2-(3-hexoxyanilino)acetamide
SMILESCCCCCCOc1cccc(NCC(=O)NC(C)CC)c1
InChIInChI=1S/C18H30N2O2/c1-4-6-7-8-12-22-17-11-9-10-16(13-17)19-14-18(21)20-15(3)5-2/h9-11,13,15,19H,4-8,12,14H2,1-3H3,(H,20,21)
InChIKeyOCQMZOLXNFNTEL-UHFFFAOYSA-N
XLogP3.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butan-2-yl-2-(3-hexoxyanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-(3-heptoxyanilino)acetamide
CID 54829186
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
N-butan-2-yl-2-[3-(2-phenylethoxy)anilino]acetamide
CID 54828601
N-tert-butyl-2-(3-heptoxyanilino)acetamide
CID 54829073
N-butan-2-yl-2-(3-prop-2-enoxyanilino)acetamide
CID 54826343
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54829043
3-[[2-(3-hexoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54823185
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(4-butan-2-yloxyanilino)-N-(3-hexoxyphenyl)acetamide
CID 54830088
N,N-diethyl-2-(3-heptoxyanilino)acetamide
CID 54829038

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(3-hexoxyanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(3-hexoxyanilino)acetamide (CID 54823184) is N-butan-2-yl-2-(3-hexoxyanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(3-hexoxyanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(3-hexoxyanilino)acetamide is CCCCCCOc1cccc(NCC(=O)NC(C)CC)c1.
What is the InChIKey of N-butan-2-yl-2-(3-hexoxyanilino)acetamide?
The InChIKey is OCQMZOLXNFNTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-6-7-8-12-22-17-11-9-10-16(13-17)19-14-18(21)20-15(3)5-2/h9-11,13,15,19H,4-8,12,14H2,1-3H3,(H,20,21).
What are the key properties of N-butan-2-yl-2-(3-hexoxyanilino)acetamide?
N-butan-2-yl-2-(3-hexoxyanilino)acetamide has a molecular weight of 306.45 g/mol, XLogP of 3.97, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(3-hexoxyanilino)acetamide is sourced from PubChem (CID 54823184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).