4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide

C16H24N2O2 — CID 63357412

IUPAC4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide
SMILESCCC1CCCCC1Oc1cc(C(=O)NC)ccc1N
InChIInChI=1S/C16H24N2O2/c1-3-11-6-4-5-7-14(11)20-15-10-12(16(19)18-2)8-9-13(15)17/h8-11,14H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyGSIFNQYTBJFCMJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds4

About 4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide

4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide (PubChem CID 63357412) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide
PubChem CID63357412
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide
SMILESCCC1CCCCC1Oc1cc(C(=O)NC)ccc1N
InChIInChI=1S/C16H24N2O2/c1-3-11-6-4-5-7-14(11)20-15-10-12(16(19)18-2)8-9-13(15)17/h8-11,14H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyGSIFNQYTBJFCMJ-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.98
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

4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid
CID 63862114
4-amino-N-methyl-3-(oxolan-3-yloxy)benzamide
CID 55218798
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-[2-(aminomethyl)cyclopentyl]oxy-N-methyl-3-nitrobenzamide
CID 82993104
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
3-amino-4-(3-ethylcyclohexyl)oxy-N-methylbenzamide
CID 83000173
4-amino-3-butan-2-yloxy-N-methylbenzamide
CID 63357542
5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
CID 63460526
4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
CID 63357473
1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 63862858
ethyl 4-amino-3-cyclohexyloxybenzoate
CID 82796678

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide?
The IUPAC name of 4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide (CID 63357412) is 4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide is CCC1CCCCC1Oc1cc(C(=O)NC)ccc1N.
What is the InChIKey of 4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide?
The InChIKey is GSIFNQYTBJFCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-11-6-4-5-7-14(11)20-15-10-12(16(19)18-2)8-9-13(15)17/h8-11,14H,3-7,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide?
4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-ethylcyclohexyl)oxy-N-methylbenzamide is sourced from PubChem (CID 63357412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).