N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide

C16H26N2O3 — CID 54824114

IUPACN-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide
SMILESCOCCCNC(=O)CNc1ccccc1OCC(C)C
InChIInChI=1S/C16H26N2O3/c1-13(2)12-21-15-8-5-4-7-14(15)18-11-16(19)17-9-6-10-20-3/h4-5,7-8,13,18H,6,9-12H2,1-3H3,(H,17,19)
InChIKeyZQSMDKBIYXKFCL-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.29
Rot. Bonds10

About N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide

N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide (PubChem CID 54824114) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide
PubChem CID54824114
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide
SMILESCOCCCNC(=O)CNc1ccccc1OCC(C)C
InChIInChI=1S/C16H26N2O3/c1-13(2)12-21-15-8-5-4-7-14(15)18-11-16(19)17-9-6-10-20-3/h4-5,7-8,13,18H,6,9-12H2,1-3H3,(H,17,19)
InChIKeyZQSMDKBIYXKFCL-UHFFFAOYSA-N
XLogP2.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54829121
N-(3-methoxypropyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825892
2-(2-methoxyanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54817214
N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54823718
ethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzoate
CID 108994192
N-[4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823688
2-(2-bromo-3-chloroanilino)-N-(3-methoxypropyl)acetamide
CID 103478891
2-(2,3-dimethylanilino)-N-[2-(2-methylpropoxy)phenyl]acetamide
CID 54815991
N-methyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823920
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
N-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54823911
4-[[2-(2-methoxyanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54817195

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide (CID 54824114) is N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide is COCCCNC(=O)CNc1ccccc1OCC(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide?
The InChIKey is ZQSMDKBIYXKFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-13(2)12-21-15-8-5-4-7-14(15)18-11-16(19)17-9-6-10-20-3/h4-5,7-8,13,18H,6,9-12H2,1-3H3,(H,17,19).
What are the key properties of N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide?
N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide has a molecular weight of 294.39 g/mol, XLogP of 2.29, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[2-(2-methylpropoxy)anilino]acetamide is sourced from PubChem (CID 54824114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).