3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide

C16H24N2O2 — CID 64731168

IUPAC3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide
SMILESCC1CC(C)CC(OCc2ccc(C(N)=O)cc2N)C1
InChIInChI=1S/C16H24N2O2/c1-10-5-11(2)7-14(6-10)20-9-13-4-3-12(16(18)19)8-15(13)17/h3-4,8,10-11,14H,5-7,9,17H2,1-2H3,(H2,18,19)
InChIKeyJIKZWOUONJHXCC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.71
Rot. Bonds4

About 3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide

3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide (PubChem CID 64731168) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide
PubChem CID64731168
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide
SMILESCC1CC(C)CC(OCc2ccc(C(N)=O)cc2N)C1
InChIInChI=1S/C16H24N2O2/c1-10-5-11(2)7-14(6-10)20-9-13-4-3-12(16(18)19)8-15(13)17/h3-4,8,10-11,14H,5-7,9,17H2,1-2H3,(H2,18,19)
InChIKeyJIKZWOUONJHXCC-UHFFFAOYSA-N
XLogP2.71
TPSA78.34 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 ≤ 52.71
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

3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 43376807
3-amino-4-[(3,5-dimethylcyclohexyl)amino]benzamide
CID 64732070
3-[(3,5-dimethylcyclohexyl)oxymethyl]-4-fluorobenzoic acid
CID 64731427
4-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483806
3-amino-4-(heptoxymethyl)benzamide
CID 43376790
3-amino-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 43376384
3-amino-4-[(3-methylcyclohexyl)sulfanylmethyl]benzamide
CID 62720802
4-amino-3-(3,3,5-trimethylcyclohexyl)oxybenzamide
CID 63356624
3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide
CID 63103190
4-[(3,5-dimethylcyclohexyl)oxymethyl]-3-(trifluoromethyl)aniline
CID 81118075
3-amino-4-[3-(2-methoxyethoxy)propoxymethyl]benzamide
CID 103401297

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide?
The IUPAC name of 3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide (CID 64731168) is 3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide.
What is the SMILES notation for 3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide?
The canonical SMILES for 3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide is CC1CC(C)CC(OCc2ccc(C(N)=O)cc2N)C1.
What is the InChIKey of 3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide?
The InChIKey is JIKZWOUONJHXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-5-11(2)7-14(6-10)20-9-13-4-3-12(16(18)19)8-15(13)17/h3-4,8,10-11,14H,5-7,9,17H2,1-2H3,(H2,18,19).
What are the key properties of 3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide?
3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3,5-dimethylcyclohexyl)oxymethyl]benzamide is sourced from PubChem (CID 64731168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).