4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide

C14H20N2O3 — CID 89028279

IUPAC4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCC(O)CC2)ccc1N
InChIInChI=1S/C14H20N2O3/c1-19-13-8-9(2-7-12(13)15)14(18)16-10-3-5-11(17)6-4-10/h2,7-8,10-11,17H,3-6,15H2,1H3,(H,16,18)
InChIKeyWHDCROQUFUBWDN-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.31
Rot. Bonds3

About 4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide

4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide (PubChem CID 89028279) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
PubChem CID89028279
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCC(O)CC2)ccc1N
InChIInChI=1S/C14H20N2O3/c1-19-13-8-9(2-7-12(13)15)14(18)16-10-3-5-11(17)6-4-10/h2,7-8,10-11,17H,3-6,15H2,1H3,(H,16,18)
InChIKeyWHDCROQUFUBWDN-UHFFFAOYSA-N
XLogP1.31
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.31
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-4-ethoxy-N-(4-hydroxycyclohexyl)benzamide
CID 61089801
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide
CID 156882442
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
CID 81090332
4-amino-N-cyclohexyl-3-methoxybenzamide;1-(cyclopropylmethyl)piperazine;ethane
CID 143522216
3-amino-N-cyclopropyl-4-(2,4-dimethoxyanilino)benzamide
CID 100630364
N-(4-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614341
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide (CID 89028279) is 4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide is COc1cc(C(=O)NC2CCC(O)CC2)ccc1N.
What is the InChIKey of 4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide?
The InChIKey is WHDCROQUFUBWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-8-9(2-7-12(13)15)14(18)16-10-3-5-11(17)6-4-10/h2,7-8,10-11,17H,3-6,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide?
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide has a molecular weight of 264.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide is sourced from PubChem (CID 89028279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).