3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide

C15H22N2O3 — CID 61089801

IUPAC3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
SMILESCCOc1ccc(C(=O)NC2CCC(O)CC2)cc1N
InChIInChI=1S/C15H22N2O3/c1-2-20-14-8-3-10(9-13(14)16)15(19)17-11-4-6-12(18)7-5-11/h3,8-9,11-12,18H,2,4-7,16H2,1H3,(H,17,19)
InChIKeyIURJHMRTLAQUNL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.70
Rot. Bonds4

About 3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide

3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide (PubChem CID 61089801) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
PubChem CID61089801
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
SMILESCCOc1ccc(C(=O)NC2CCC(O)CC2)cc1N
InChIInChI=1S/C15H22N2O3/c1-2-20-14-8-3-10(9-13(14)16)15(19)17-11-4-6-12(18)7-5-11/h3,8-9,11-12,18H,2,4-7,16H2,1H3,(H,17,19)
InChIKeyIURJHMRTLAQUNL-UHFFFAOYSA-N
XLogP1.70
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
3-amino-4-ethoxy-N-(1-ethylpiperidin-3-yl)benzamide
CID 61169768
3-amino-N-(1,1-dioxothian-3-yl)-4-ethoxybenzamide
CID 63924857
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61320899
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670
1-(3-amino-4-ethoxyphenyl)-2-(cyclopropylamino)ethanone
CID 82258597
3-amino-N-(2,6-dimethylpiperidin-1-yl)-4-ethoxybenzamide
CID 83003513
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide (CID 61089801) is 3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide is CCOc1ccc(C(=O)NC2CCC(O)CC2)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide?
The InChIKey is IURJHMRTLAQUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-14-8-3-10(9-13(14)16)15(19)17-11-4-6-12(18)7-5-11/h3,8-9,11-12,18H,2,4-7,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide?
3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 61089801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).