4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide

C16H24N2O2 — CID 63358647

IUPAC4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(OCC2CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-2-18-16(19)13-8-9-14(17)15(10-13)20-11-12-6-4-3-5-7-12/h8-10,12H,2-7,11,17H2,1H3,(H,18,19)
InChIKeyUQQVBTSSMWZZNP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds5

About 4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide

4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide (PubChem CID 63358647) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
PubChem CID63358647
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(OCC2CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-2-18-16(19)13-8-9-14(17)15(10-13)20-11-12-6-4-3-5-7-12/h8-10,12H,2-7,11,17H2,1H3,(H,18,19)
InChIKeyUQQVBTSSMWZZNP-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(cycloheptylmethoxy)benzamide
CID 114247963
4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492
4-amino-N-ethyl-3-(2-hydroxyethoxy)benzamide
CID 63358641
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
3-(cyclohexylmethoxy)-4-methylbenzohydrazide
CID 163359298
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
4-amino-N-ethyl-3-pentoxybenzamide
CID 63358644
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide
CID 106585831
4-amino-N-ethyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzamide
CID 115941798
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide?
The IUPAC name of 4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide (CID 63358647) is 4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide.
What is the SMILES notation for 4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide?
The canonical SMILES for 4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide is CCNC(=O)c1ccc(N)c(OCC2CCCCC2)c1.
What is the InChIKey of 4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide?
The InChIKey is UQQVBTSSMWZZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-18-16(19)13-8-9-14(17)15(10-13)20-11-12-6-4-3-5-7-12/h8-10,12H,2-7,11,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide?
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide is sourced from PubChem (CID 63358647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).