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

C16H23NO2 — CID 22267456

IUPACN-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C16H23NO2/c1-13-8-4-5-9-14(13)15(18)17-12-16(19)10-6-2-3-7-11-16/h4-5,8-9,19H,2-3,6-7,10-12H2,1H3,(H,17,18)
InChIKeyXRBZJPZCADEDBK-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.81
Rot. Bonds3

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

N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide (PubChem CID 22267456) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
PubChem CID22267456
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC1(O)CCCCCC1
InChIInChI=1S/C16H23NO2/c1-13-8-4-5-9-14(13)15(18)17-12-16(19)10-6-2-3-7-11-16/h4-5,8-9,19H,2-3,6-7,10-12H2,1H3,(H,17,18)
InChIKeyXRBZJPZCADEDBK-UHFFFAOYSA-N
XLogP2.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-3-methylbenzamide
CID 80711895
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
4-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103863824
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 114344927
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbenzamide
CID 111445443

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide (CID 22267456) is N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC1(O)CCCCCC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide?
The InChIKey is XRBZJPZCADEDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-8-4-5-9-14(13)15(18)17-12-16(19)10-6-2-3-7-11-16/h4-5,8-9,19H,2-3,6-7,10-12H2,1H3,(H,17,18).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide?
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide has a molecular weight of 261.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 22267456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).