2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide

C16H23NO3 — CID 143322677

IUPAC2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide
SMILESC[C@H]1CCCCCC1N(C)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C16H23NO3/c1-11-6-4-3-5-7-14(11)17(2)16(20)13-9-8-12(18)10-15(13)19/h8-11,14,18-19H,3-7H2,1-2H3/t11-,14?/m0/s1
InChIKeyBULUDSCRFGDEQD-ZSOXZCCMSA-N
MW277.36 g/mol
LogP3.14
Rot. Bonds2

About 2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide

2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide (PubChem CID 143322677) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide
PubChem CID143322677
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide
SMILESC[C@H]1CCCCCC1N(C)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C16H23NO3/c1-11-6-4-3-5-7-14(11)17(2)16(20)13-9-8-12(18)10-15(13)19/h8-11,14,18-19H,3-7H2,1-2H3/t11-,14?/m0/s1
InChIKeyBULUDSCRFGDEQD-ZSOXZCCMSA-N
XLogP3.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-hydroxy-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 103887475
3,5-dihydroxy-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 103891881
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
5-amino-N,2-dimethyl-N-(2-methylcyclohexyl)benzamide
CID 61291362
2,4-dihydroxy-N-(2-methylcycloheptyl)benzamide
CID 103714355
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dihydroxy-N-methylbenzamide
CID 61232206
4-amino-N,6-dimethyl-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 81240095
5-amino-2-bromo-4-fluoro-N-methyl-N-(2-methylcyclohexyl)benzamide
CID 62815082
N-cyclopropyl-2,5-dihydroxy-N-methylbenzamide
CID 107722324
N-cyclopropyl-4-hydroxy-N,2-dimethylbenzamide
CID 103863729
N-(2-aminocyclohexyl)-2-hydroxy-N-methylbenzamide
CID 102639040
5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide
CID 60735362

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide?
The IUPAC name of 2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide (CID 143322677) is 2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide?
The canonical SMILES for 2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide is C[C@H]1CCCCCC1N(C)C(=O)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide?
The InChIKey is BULUDSCRFGDEQD-ZSOXZCCMSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-6-4-3-5-7-14(11)17(2)16(20)13-9-8-12(18)10-15(13)19/h8-11,14,18-19H,3-7H2,1-2H3/t11-,14?/m0/s1.
What are the key properties of 2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide?
2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide has a molecular weight of 277.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-methyl-N-[(2S)-2-methylcycloheptyl]benzamide is sourced from PubChem (CID 143322677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).