4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide

C16H23NO3 — CID 103863815

IUPAC4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C16H23NO3/c1-12-10-13(18)6-7-14(12)15(19)17-11-16(20)8-4-2-3-5-9-16/h6-7,10,18,20H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKeyBQRXSCVTVOJGEK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.52
Rot. Bonds3

About 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide

4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide (PubChem CID 103863815) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
PubChem CID103863815
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C16H23NO3/c1-12-10-13(18)6-7-14(12)15(19)17-11-16(20)8-4-2-3-5-9-16/h6-7,10,18,20H,2-5,8-9,11H2,1H3,(H,17,19)
InChIKeyBQRXSCVTVOJGEK-UHFFFAOYSA-N
XLogP2.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103863824
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
CID 106509758
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
4-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzamide
CID 112702691
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide?
The IUPAC name of 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide (CID 103863815) is 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NCC1(O)CCCCCC1.
What is the InChIKey of 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide?
The InChIKey is BQRXSCVTVOJGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12-10-13(18)6-7-14(12)15(19)17-11-16(20)8-4-2-3-5-9-16/h6-7,10,18,20H,2-5,8-9,11H2,1H3,(H,17,19).
What are the key properties of 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide?
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide has a molecular weight of 277.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 103863815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).