N-butyl-2-(3,4-diethoxyanilino)acetamide

C16H26N2O3 — CID 60672654

IUPACN-butyl-2-(3,4-diethoxyanilino)acetamide
SMILESCCCCNC(=O)CNc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-4-7-10-17-16(19)12-18-13-8-9-14(20-5-2)15(11-13)21-6-3/h8-9,11,18H,4-7,10,12H2,1-3H3,(H,17,19)
InChIKeyZYGXOOVZGNXAPM-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.81
Rot. Bonds10

About N-butyl-2-(3,4-diethoxyanilino)acetamide

N-butyl-2-(3,4-diethoxyanilino)acetamide (PubChem CID 60672654) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-butyl-2-(3,4-diethoxyanilino)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3,4-diethoxyanilino)acetamide
PubChem CID60672654
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-butyl-2-(3,4-diethoxyanilino)acetamide
SMILESCCCCNC(=O)CNc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-4-7-10-17-16(19)12-18-13-8-9-14(20-5-2)15(11-13)21-6-3/h8-9,11,18H,4-7,10,12H2,1-3H3,(H,17,19)
InChIKeyZYGXOOVZGNXAPM-UHFFFAOYSA-N
XLogP2.81
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-ethoxyanilino)-N-propylacetamide
CID 87029646
N-tert-butyl-2-(3,4-diethoxyanilino)acetamide
CID 28576637
2-(4-bromo-3-methoxyanilino)-N-butylacetamide
CID 79493403
4-(3,4-diethoxyanilino)-N-methylbutanamide
CID 63890112
ethyl 4-[[2-(butylamino)-2-oxoethyl]amino]benzoate
CID 86908699
2-(4-bromoanilino)-N-butylacetamide
CID 39385109
2-(3,4-diethoxyanilino)-N-ethyl-N-methylacetamide
CID 43309603
2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide
CID 9080322
2-(4-bromo-3-fluoroanilino)-N-butylacetamide
CID 65437727
N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60703977
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide
CID 61485578

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3,4-diethoxyanilino)acetamide?
The IUPAC name of N-butyl-2-(3,4-diethoxyanilino)acetamide (CID 60672654) is N-butyl-2-(3,4-diethoxyanilino)acetamide.
What is the SMILES notation for N-butyl-2-(3,4-diethoxyanilino)acetamide?
The canonical SMILES for N-butyl-2-(3,4-diethoxyanilino)acetamide is CCCCNC(=O)CNc1ccc(OCC)c(OCC)c1.
What is the InChIKey of N-butyl-2-(3,4-diethoxyanilino)acetamide?
The InChIKey is ZYGXOOVZGNXAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-7-10-17-16(19)12-18-13-8-9-14(20-5-2)15(11-13)21-6-3/h8-9,11,18H,4-7,10,12H2,1-3H3,(H,17,19).
What are the key properties of N-butyl-2-(3,4-diethoxyanilino)acetamide?
N-butyl-2-(3,4-diethoxyanilino)acetamide has a molecular weight of 294.40 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3,4-diethoxyanilino)acetamide is sourced from PubChem (CID 60672654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).