5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide

C16H24N2O2 — CID 106118990

IUPAC5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2CCCC(O)C2)cc1N
InChIInChI=1S/C16H24N2O2/c1-10-6-11(2)15(17)8-14(10)16(20)18-9-12-4-3-5-13(19)7-12/h6,8,12-13,19H,3-5,7,9,17H2,1-2H3,(H,18,20)
InChIKeyUOJUBUJNKTVQQP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.17
Rot. Bonds3

About 5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide

5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide (PubChem CID 106118990) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
PubChem CID106118990
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCC2CCCC(O)C2)cc1N
InChIInChI=1S/C16H24N2O2/c1-10-6-11(2)15(17)8-14(10)16(20)18-9-12-4-3-5-13(19)7-12/h6,8,12-13,19H,3-5,7,9,17H2,1-2H3,(H,18,20)
InChIKeyUOJUBUJNKTVQQP-UHFFFAOYSA-N
XLogP2.17
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.17
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

2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2,4-dimethylbenzamide
CID 102705456
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203
5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103690984
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755
2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118792
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide (CID 106118990) is 5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NCC2CCCC(O)C2)cc1N.
What is the InChIKey of 5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide?
The InChIKey is UOJUBUJNKTVQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-6-11(2)15(17)8-14(10)16(20)18-9-12-4-3-5-13(19)7-12/h6,8,12-13,19H,3-5,7,9,17H2,1-2H3,(H,18,20).
What are the key properties of 5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide?
5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 106118990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).