N-heptan-2-yl-2-hydroxy-3-methoxybenzamide

C15H23NO3 — CID 60653869

IUPACN-heptan-2-yl-2-hydroxy-3-methoxybenzamide
SMILESCCCCCC(C)NC(=O)c1cccc(OC)c1O
InChIInChI=1S/C15H23NO3/c1-4-5-6-8-11(2)16-15(18)12-9-7-10-13(19-3)14(12)17/h7,9-11,17H,4-6,8H2,1-3H3,(H,16,18)
InChIKeyMJJRAUBITVQUPA-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.10
Rot. Bonds7

About N-heptan-2-yl-2-hydroxy-3-methoxybenzamide

N-heptan-2-yl-2-hydroxy-3-methoxybenzamide (PubChem CID 60653869) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-heptan-2-yl-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-hydroxy-3-methoxybenzamide
PubChem CID60653869
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-heptan-2-yl-2-hydroxy-3-methoxybenzamide
SMILESCCCCCC(C)NC(=O)c1cccc(OC)c1O
InChIInChI=1S/C15H23NO3/c1-4-5-6-8-11(2)16-15(18)12-9-7-10-13(19-3)14(12)17/h7,9-11,17H,4-6,8H2,1-3H3,(H,16,18)
InChIKeyMJJRAUBITVQUPA-UHFFFAOYSA-N
XLogP3.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 60653927
N-octan-2-yl-2-phenoxybenzamide
CID 4673195
N-(3,3-dimethylbutan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 115622767
2-(2-amino-2-oxoethoxy)-N-heptan-2-ylbenzamide
CID 134017885
N-heptan-2-yl-2,6-dihydroxybenzamide
CID 103748986
methyl 2-[(2-hydroxy-3-methoxybenzoyl)amino]-3-methylbutanoate
CID 43386285
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 24697724
N-butan-2-yl-2-methoxybenzamide
CID 3117660
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 63755983

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-heptan-2-yl-2-hydroxy-3-methoxybenzamide (CID 60653869) is N-heptan-2-yl-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-heptan-2-yl-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-heptan-2-yl-2-hydroxy-3-methoxybenzamide is CCCCCC(C)NC(=O)c1cccc(OC)c1O.
What is the InChIKey of N-heptan-2-yl-2-hydroxy-3-methoxybenzamide?
The InChIKey is MJJRAUBITVQUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-5-6-8-11(2)16-15(18)12-9-7-10-13(19-3)14(12)17/h7,9-11,17H,4-6,8H2,1-3H3,(H,16,18).
What are the key properties of N-heptan-2-yl-2-hydroxy-3-methoxybenzamide?
N-heptan-2-yl-2-hydroxy-3-methoxybenzamide has a molecular weight of 265.35 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 60653869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).