2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide

C17H26N2O2 — CID 81395055

IUPAC2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C17H26N2O2/c1-4-21-15-7-5-6-13(18)16(15)17(20)19-14-9-8-11(2)10-12(14)3/h5-7,11-12,14H,4,8-10,18H2,1-3H3,(H,19,20)
InChIKeyKSWOUFLQYATHOU-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.22
Rot. Bonds4

About 2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide

2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide (PubChem CID 81395055) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide
PubChem CID81395055
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide
SMILESCCOc1cccc(N)c1C(=O)NC1CCC(C)CC1C
InChIInChI=1S/C17H26N2O2/c1-4-21-15-7-5-6-13(18)16(15)17(20)19-14-9-8-11(2)10-12(14)3/h5-7,11-12,14H,4,8-10,18H2,1-3H3,(H,19,20)
InChIKeyKSWOUFLQYATHOU-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.22
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

2-amino-N-(2,4-dimethylcyclohexyl)-6-methoxybenzamide
CID 81420602
2-amino-N-cyclooctyl-6-ethoxybenzamide
CID 81396294
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-ethoxybenzamide
CID 81420200
N-cyclopentyl-2,6-diethoxybenzamide
CID 118034872
2-amino-N-(2,2-dimethylpropyl)-6-ethoxybenzamide
CID 81420510
methyl 2-[(2-amino-6-ethoxybenzoyl)amino]acetate
CID 81410265
cyclohexylmethyl 2-amino-6-ethoxybenzoate
CID 81414123
2-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-6-ethoxybenzamide
CID 81395596
2-amino-6-ethoxy-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 107211215
3-amino-N-(2,4-dimethylcyclohexyl)thiophene-2-carboxamide
CID 63996432
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide?
The IUPAC name of 2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide (CID 81395055) is 2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide.
What is the SMILES notation for 2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide?
The canonical SMILES for 2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide is CCOc1cccc(N)c1C(=O)NC1CCC(C)CC1C.
What is the InChIKey of 2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide?
The InChIKey is KSWOUFLQYATHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-15-7-5-6-13(18)16(15)17(20)19-14-9-8-11(2)10-12(14)3/h5-7,11-12,14H,4,8-10,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide?
2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,4-dimethylcyclohexyl)-6-ethoxybenzamide is sourced from PubChem (CID 81395055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).