3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide

C16H24N2O3 — CID 102631172

IUPAC3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)C2CCCCC2O)cc1N
InChIInChI=1S/C16H24N2O3/c1-3-21-15-9-8-11(10-12(15)17)16(20)18(2)13-6-4-5-7-14(13)19/h8-10,13-14,19H,3-7,17H2,1-2H3
InChIKeyVLAQJJUGTSLYFS-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.04
Rot. Bonds4

About 3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide

3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide (PubChem CID 102631172) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide
PubChem CID102631172
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide
SMILESCCOc1ccc(C(=O)N(C)C2CCCCC2O)cc1N
InChIInChI=1S/C16H24N2O3/c1-3-21-15-9-8-11(10-12(15)17)16(20)18(2)13-6-4-5-7-14(13)19/h8-10,13-14,19H,3-7,17H2,1-2H3
InChIKeyVLAQJJUGTSLYFS-UHFFFAOYSA-N
XLogP2.04
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-ethoxy-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 95875729
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
CID 61095549
N-(2-hydroxycyclohexyl)-4-methoxy-N,3-dimethylbenzamide
CID 56922697
N-[(1R,2S)-2-hydroxycyclohexyl]-4-methoxy-N,3-dimethylbenzamide
CID 95877860
3-ethoxy-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 126798729
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
3-amino-4-ethoxy-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63725532
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The IUPAC name of 3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide (CID 102631172) is 3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide is CCOc1ccc(C(=O)N(C)C2CCCCC2O)cc1N.
What is the InChIKey of 3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The InChIKey is VLAQJJUGTSLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-21-15-9-8-11(10-12(15)17)16(20)18(2)13-6-4-5-7-14(13)19/h8-10,13-14,19H,3-7,17H2,1-2H3.
What are the key properties of 3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide is sourced from PubChem (CID 102631172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).