3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide

C15H22N2O2 — CID 65103774

IUPAC3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H22N2O2/c1-11-12(6-5-7-13(11)16)14(18)17-10-15(19)8-3-2-4-9-15/h5-7,19H,2-4,8-10,16H2,1H3,(H,17,18)
InChIKeyJBUGUFUWQNBVHS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.00
Rot. Bonds3

About 3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide

3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide (PubChem CID 65103774) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
PubChem CID65103774
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C15H22N2O2/c1-11-12(6-5-7-13(11)16)14(18)17-10-15(19)8-3-2-4-9-15/h5-7,19H,2-4,8-10,16H2,1H3,(H,17,18)
InChIKeyJBUGUFUWQNBVHS-UHFFFAOYSA-N
XLogP2.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylbenzamide
CID 65117739
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
3-amino-N-[(1-hydroxycyclopentyl)methyl]naphthalene-2-carboxamide
CID 65106022

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide (CID 65103774) is 3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide is Cc1c(N)cccc1C(=O)NCC1(O)CCCCC1.
What is the InChIKey of 3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide?
The InChIKey is JBUGUFUWQNBVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-12(6-5-7-13(11)16)14(18)17-10-15(19)8-3-2-4-9-15/h5-7,19H,2-4,8-10,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide?
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 65103774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).