3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide

C14H20N2O3 — CID 81090332

IUPAC3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C14H20N2O3/c1-19-13-7-9(6-10(15)8-13)14(18)16-11-2-4-12(17)5-3-11/h6-8,11-12,17H,2-5,15H2,1H3,(H,16,18)
InChIKeyUOFAIKPWDFSALU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.31
Rot. Bonds3

About 3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide

3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide (PubChem CID 81090332) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
PubChem CID81090332
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide
SMILESCOc1cc(N)cc(C(=O)NC2CCC(O)CC2)c1
InChIInChI=1S/C14H20N2O3/c1-19-13-7-9(6-10(15)8-13)14(18)16-11-2-4-12(17)5-3-11/h6-8,11-12,17H,2-5,15H2,1H3,(H,16,18)
InChIKeyUOFAIKPWDFSALU-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-5-methoxy-N-(thiolan-3-yl)benzamide
CID 103062202
N-cyclopentyl-3,5-dimethoxybenzamide
CID 2303723
3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide
CID 82725612
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
3-amino-N-(1-cyclopentylethyl)-5-methoxybenzamide
CID 81092038
3-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-5-methoxybenzamide
CID 81090519
3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 81090911
N-cyclopropyl-3-methoxybenzamide
CID 900156
[2-(cyclopentylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81095131
3,5-diamino-N-cyclooctylbenzamide
CID 61092511
N-cyclopropyl-3-methoxy-5-(4-methoxybutyl)benzamide
CID 70313971

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide?
The IUPAC name of 3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide (CID 81090332) is 3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide is COc1cc(N)cc(C(=O)NC2CCC(O)CC2)c1.
What is the InChIKey of 3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide?
The InChIKey is UOFAIKPWDFSALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-7-9(6-10(15)8-13)14(18)16-11-2-4-12(17)5-3-11/h6-8,11-12,17H,2-5,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide?
3-amino-N-(4-hydroxycyclohexyl)-5-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 3-amino-N-(4-hydroxycyclohexyl)-5-methoxybenzamide is sourced from PubChem (CID 81090332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).