2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide

C15H21NO4 — CID 114344927

IUPAC2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cccc(O)c1O
InChIInChI=1S/C15H21NO4/c17-12-7-5-6-11(13(12)18)14(19)16-10-15(20)8-3-1-2-4-9-15/h5-7,17-18,20H,1-4,8-10H2,(H,16,19)
InChIKeyRKNXPEWOHOXRFP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.91
Rot. Bonds3

About 2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide

2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 114344927) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID114344927
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cccc(O)c1O
InChIInChI=1S/C15H21NO4/c17-12-7-5-6-11(13(12)18)14(19)16-10-15(20)8-3-1-2-4-9-15/h5-7,17-18,20H,1-4,8-10H2,(H,16,19)
InChIKeyRKNXPEWOHOXRFP-UHFFFAOYSA-N
XLogP1.91
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2,3-dihydroxybenzamide
CID 114344926
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
2-hydroxy-N-[(1-hydroxycyclobutyl)methyl]-3-methoxybenzamide
CID 113248973
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 65103774
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
3-bromo-2-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 106548037
N-[(1-ethylcyclopropyl)methyl]-2,3-dihydroxybenzamide
CID 104931813
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 114344927) is 2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide is O=C(NCC1(O)CCCCCC1)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is RKNXPEWOHOXRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-12-7-5-6-11(13(12)18)14(19)16-10-15(20)8-3-1-2-4-9-15/h5-7,17-18,20H,1-4,8-10H2,(H,16,19).
What are the key properties of 2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide?
2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide is sourced from PubChem (CID 114344927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).