2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide

C16H26N2O3 — CID 106006138

IUPAC2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)NCCCCOC(C)C
InChIInChI=1S/C16H26N2O3/c1-4-20-14-9-7-8-13(17)15(14)16(19)18-10-5-6-11-21-12(2)3/h7-9,12H,4-6,10-11,17H2,1-3H3,(H,18,19)
InChIKeyDCUVEGPGQCIQHS-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.60
Rot. Bonds9

About 2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide

2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide (PubChem CID 106006138) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide
PubChem CID106006138
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide
SMILESCCOc1cccc(N)c1C(=O)NCCCCOC(C)C
InChIInChI=1S/C16H26N2O3/c1-4-20-14-9-7-8-13(17)15(14)16(19)18-10-5-6-11-21-12(2)3/h7-9,12H,4-6,10-11,17H2,1-3H3,(H,18,19)
InChIKeyDCUVEGPGQCIQHS-UHFFFAOYSA-N
XLogP2.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-6-ethoxy-N-hex-5-ynylbenzamide
CID 106208141
2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide
CID 106332674
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-6-ethoxy-N-(3-methoxy-2-methylpropyl)benzamide
CID 81420520
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 114464773
2-(2-aminophenoxy)-N-(4-propan-2-yloxybutyl)acetamide
CID 106006099
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-6-ethoxy-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 81420087
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide?
The IUPAC name of 2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide (CID 106006138) is 2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide?
The canonical SMILES for 2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide is CCOc1cccc(N)c1C(=O)NCCCCOC(C)C.
What is the InChIKey of 2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide?
The InChIKey is DCUVEGPGQCIQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-20-14-9-7-8-13(17)15(14)16(19)18-10-5-6-11-21-12(2)3/h7-9,12H,4-6,10-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide?
2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide has a molecular weight of 294.40 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-(4-propan-2-yloxybutyl)benzamide is sourced from PubChem (CID 106006138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).