2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide

C16H24N2O3 — CID 28689875

IUPAC2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide
SMILESCOc1cc(N)c(C(=O)N[C@H]2CCC[C@H](C)C2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-10-5-4-6-11(7-10)18-16(19)12-8-14(20-2)15(21-3)9-13(12)17/h8-11H,4-7,17H2,1-3H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyYDHGNLFRVGOGNV-QWRGUYRKSA-N
MW292.38 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide

2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide (PubChem CID 28689875) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide
PubChem CID28689875
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide
SMILESCOc1cc(N)c(C(=O)N[C@H]2CCC[C@H](C)C2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-10-5-4-6-11(7-10)18-16(19)12-8-14(20-2)15(21-3)9-13(12)17/h8-11H,4-7,17H2,1-3H3,(H,18,19)/t10-,11-/m0/s1
InChIKeyYDHGNLFRVGOGNV-QWRGUYRKSA-N
XLogP2.59
TPSA73.58 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 ≤ 52.59
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-amino-4-methoxy-N-[(1R,3S)-3-methylcyclohexyl]benzamide
CID 28690073
2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28690168
2-hydroxy-3-methoxy-N-(3-methylcyclohexyl)benzamide
CID 43244115
5-amino-2-methoxy-N-(3-methylcyclopentyl)benzamide
CID 114542636
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
5-amino-2-ethoxy-N-(3-methylcyclohexyl)benzamide
CID 43830266
5-amino-2-ethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28690038
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
4-amino-5-chloro-N-(3-ethylcyclohexyl)-2-methoxybenzamide;hydrochloride
CID 119793328
3-amino-N-(3-methylcyclohexyl)-4-propan-2-yloxybenzamide
CID 43912271
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide?
The IUPAC name of 2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide (CID 28689875) is 2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide.
What is the SMILES notation for 2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide?
The canonical SMILES for 2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide is COc1cc(N)c(C(=O)N[C@H]2CCC[C@H](C)C2)cc1OC.
What is the InChIKey of 2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide?
The InChIKey is YDHGNLFRVGOGNV-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-5-4-6-11(7-10)18-16(19)12-8-14(20-2)15(21-3)9-13(12)17/h8-11H,4-7,17H2,1-3H3,(H,18,19)/t10-,11-/m0/s1.
What are the key properties of 2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide?
2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxy-N-[(1S,3S)-3-methylcyclohexyl]benzamide is sourced from PubChem (CID 28689875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).