4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide

C15H21NO3 — CID 65123054

IUPAC4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1ccc(O)cc1
InChIInChI=1S/C15H21NO3/c17-13-7-5-12(6-8-13)14(18)16-11-15(19)9-3-1-2-4-10-15/h5-8,17,19H,1-4,9-11H2,(H,16,18)
InChIKeyIRZWHSNOYPSWQT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.21
Rot. Bonds3

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

4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 65123054) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID65123054
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1ccc(O)cc1
InChIInChI=1S/C15H21NO3/c17-13-7-5-12(6-8-13)14(18)16-11-15(19)9-3-1-2-4-10-15/h5-8,17,19H,1-4,9-11H2,(H,16,18)
InChIKeyIRZWHSNOYPSWQT-UHFFFAOYSA-N
XLogP2.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
N-[(1-hydroxycycloheptyl)methyl]-2-(4-hydroxyphenyl)acetamide
CID 65122861
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111539885
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815
4-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103863824
N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide
CID 111744569

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 65123054) is 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide is O=C(NCC1(O)CCCCCC1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is IRZWHSNOYPSWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-13-7-5-12(6-8-13)14(18)16-11-15(19)9-3-1-2-4-10-15/h5-8,17,19H,1-4,9-11H2,(H,16,18).
What are the key properties of 4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide?
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 2.21, 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]benzamide is sourced from PubChem (CID 65123054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).