N-heptan-2-yl-2,6-dihydroxybenzamide

C14H21NO3 — CID 103748986

IUPACN-heptan-2-yl-2,6-dihydroxybenzamide
SMILESCCCCCC(C)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C14H21NO3/c1-3-4-5-7-10(2)15-14(18)13-11(16)8-6-9-12(13)17/h6,8-10,16-17H,3-5,7H2,1-2H3,(H,15,18)
InChIKeyCWMHWFCHLCHPLZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.80
Rot. Bonds6

About N-heptan-2-yl-2,6-dihydroxybenzamide

N-heptan-2-yl-2,6-dihydroxybenzamide (PubChem CID 103748986) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-heptan-2-yl-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-heptan-2-yl-2,6-dihydroxybenzamide
PubChem CID103748986
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-heptan-2-yl-2,6-dihydroxybenzamide
SMILESCCCCCC(C)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C14H21NO3/c1-3-4-5-7-10(2)15-14(18)13-11(16)8-6-9-12(13)17/h6,8-10,16-17H,3-5,7H2,1-2H3,(H,15,18)
InChIKeyCWMHWFCHLCHPLZ-UHFFFAOYSA-N
XLogP2.80
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dihydroxy-N-pentan-2-ylbenzamide
CID 103890167
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
N-heptan-2-yl-2-hydroxy-3-methoxybenzamide
CID 60653869
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
2,6-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 103890504
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
N-heptan-2-yl-1-methylpyrrole-2-carboxamide
CID 102603550
4-bromo-2-hydroxy-N-octan-2-ylbenzamide
CID 55223939
3-(2,6-dichlorophenyl)-N-heptan-2-yl-5-methyl-1,2-oxazole-4-carboxamide
CID 4618388

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2,6-dihydroxybenzamide?
The IUPAC name of N-heptan-2-yl-2,6-dihydroxybenzamide (CID 103748986) is N-heptan-2-yl-2,6-dihydroxybenzamide.
What is the SMILES notation for N-heptan-2-yl-2,6-dihydroxybenzamide?
The canonical SMILES for N-heptan-2-yl-2,6-dihydroxybenzamide is CCCCCC(C)NC(=O)c1c(O)cccc1O.
What is the InChIKey of N-heptan-2-yl-2,6-dihydroxybenzamide?
The InChIKey is CWMHWFCHLCHPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-4-5-7-10(2)15-14(18)13-11(16)8-6-9-12(13)17/h6,8-10,16-17H,3-5,7H2,1-2H3,(H,15,18).
What are the key properties of N-heptan-2-yl-2,6-dihydroxybenzamide?
N-heptan-2-yl-2,6-dihydroxybenzamide has a molecular weight of 251.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2,6-dihydroxybenzamide is sourced from PubChem (CID 103748986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).