5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide

C16H24N2O2 — CID 28690038

IUPAC5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide
SMILESCCOc1ccc(N)cc1C(=O)N[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-8-7-12(17)10-14(15)16(19)18-13-6-4-5-11(2)9-13/h7-8,10-11,13H,3-6,9,17H2,1-2H3,(H,18,19)/t11-,13-/m0/s1
InChIKeyGHQQRIUCBAIVNF-AAEUAGOBSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds4

About 5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide

5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide (PubChem CID 28690038) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide
PubChem CID28690038
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide
SMILESCCOc1ccc(N)cc1C(=O)N[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-8-7-12(17)10-14(15)16(19)18-13-6-4-5-11(2)9-13/h7-8,10-11,13H,3-6,9,17H2,1-2H3,(H,18,19)/t11-,13-/m0/s1
InChIKeyGHQQRIUCBAIVNF-AAEUAGOBSA-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

5-amino-2-ethoxy-N-(3-methylcyclohexyl)benzamide
CID 43830266
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28689875
5-amino-2-ethoxy-N-ethylbenzamide
CID 28689994
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
3-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 28690073
5-bromo-N-cyclopropyl-2-ethoxybenzamide
CID 135563587
2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28690168
5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
CID 64748209
3-amino-5-methyl-N-(3-methylcyclohexyl)benzamide
CID 113396124
2-hydroxy-3-methoxy-N-(3-methylcyclohexyl)benzamide
CID 43244115
2-fluoro-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 41097249

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide?
The IUPAC name of 5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide (CID 28690038) is 5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide.
What is the SMILES notation for 5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide?
The canonical SMILES for 5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide is CCOc1ccc(N)cc1C(=O)N[C@H]1CCC[C@H](C)C1.
What is the InChIKey of 5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide?
The InChIKey is GHQQRIUCBAIVNF-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-15-8-7-12(17)10-14(15)16(19)18-13-6-4-5-11(2)9-13/h7-8,10-11,13H,3-6,9,17H2,1-2H3,(H,18,19)/t11-,13-/m0/s1.
What are the key properties of 5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide?
5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide 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 5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide is sourced from PubChem (CID 28690038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).