N-ethyl-2-(3-heptoxyanilino)acetamide

C17H28N2O2 — CID 54829186

IUPACN-ethyl-2-(3-heptoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)NCC)c1
InChIInChI=1S/C17H28N2O2/c1-3-5-6-7-8-12-21-16-11-9-10-15(13-16)19-14-17(20)18-4-2/h9-11,13,19H,3-8,12,14H2,1-2H3,(H,18,20)
InChIKeyLZAKYTJWSYZFJQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.58
Rot. Bonds11

About N-ethyl-2-(3-heptoxyanilino)acetamide

N-ethyl-2-(3-heptoxyanilino)acetamide (PubChem CID 54829186) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-ethyl-2-(3-heptoxyanilino)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-heptoxyanilino)acetamide
PubChem CID54829186
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-ethyl-2-(3-heptoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)NCC)c1
InChIInChI=1S/C17H28N2O2/c1-3-5-6-7-8-12-21-16-11-9-10-15(13-16)19-14-17(20)18-4-2/h9-11,13,19H,3-8,12,14H2,1-2H3,(H,18,20)
InChIKeyLZAKYTJWSYZFJQ-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.58
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

N-ethyl-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826043
N-tert-butyl-2-(3-heptoxyanilino)acetamide
CID 54829073
N-butan-2-yl-2-(3-hexoxyanilino)acetamide
CID 54823184
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N,N-diethyl-2-(3-heptoxyanilino)acetamide
CID 54829038
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54829043
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-heptoxyanilino)acetamide?
The IUPAC name of N-ethyl-2-(3-heptoxyanilino)acetamide (CID 54829186) is N-ethyl-2-(3-heptoxyanilino)acetamide.
What is the SMILES notation for N-ethyl-2-(3-heptoxyanilino)acetamide?
The canonical SMILES for N-ethyl-2-(3-heptoxyanilino)acetamide is CCCCCCCOc1cccc(NCC(=O)NCC)c1.
What is the InChIKey of N-ethyl-2-(3-heptoxyanilino)acetamide?
The InChIKey is LZAKYTJWSYZFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-5-6-7-8-12-21-16-11-9-10-15(13-16)19-14-17(20)18-4-2/h9-11,13,19H,3-8,12,14H2,1-2H3,(H,18,20).
What are the key properties of N-ethyl-2-(3-heptoxyanilino)acetamide?
N-ethyl-2-(3-heptoxyanilino)acetamide has a molecular weight of 292.42 g/mol, XLogP of 3.58, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-heptoxyanilino)acetamide is sourced from PubChem (CID 54829186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).