2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide

C14H22N2O2 — CID 81420510

IUPAC2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)NCC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-5-18-11-8-6-7-10(15)12(11)13(17)16-9-14(2,3)4/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyWWXWHBZGOYYOAA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.44
Rot. Bonds4

About 2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide

2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide (PubChem CID 81420510) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
PubChem CID81420510
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)NCC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-5-18-11-8-6-7-10(15)12(11)13(17)16-9-14(2,3)4/h6-8H,5,9,15H2,1-4H3,(H,16,17)
InChIKeyWWXWHBZGOYYOAA-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-6-ethoxy-N-(3-hydroxy-2-methylpropyl)benzamide
CID 81420128
2-amino-6-ethoxy-N-(2-methylbutyl)benzamide
CID 81420937
2-amino-N-(5-amino-5-oxopentyl)-6-ethoxybenzamide
CID 106233209
2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide
CID 81420537
2-amino-6-ethoxy-N-(3-methoxy-2-methylpropyl)benzamide
CID 81420520
3,3-dimethylbutyl 2-amino-6-ethoxybenzoate
CID 81414040
2-amino-6-ethoxy-N-hex-5-ynylbenzamide
CID 106208141
2-amino-6-ethoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 81420120
2-amino-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 114464773
2-amino-6-ethoxy-N-[3-(methanesulfonamido)propyl]benzamide
CID 106332674

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide (CID 81420510) is 2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)NCC(C)(C)C.
What is the InChIKey of 2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide?
The InChIKey is WWXWHBZGOYYOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-11-8-6-7-10(15)12(11)13(17)16-9-14(2,3)4/h6-8H,5,9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide?
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide is sourced from PubChem (CID 81420510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).