N-hex-5-ynyl-3,4-dimethoxybenzamide

C15H19NO3 — CID 113256083

IUPACN-hex-5-ynyl-3,4-dimethoxybenzamide
SMILESC#CCCCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H19NO3/c1-4-5-6-7-10-16-15(17)12-8-9-13(18-2)14(11-12)19-3/h1,8-9,11H,5-7,10H2,2-3H3,(H,16,17)
InChIKeyVRAKGUZVVMZQMW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.24
Rot. Bonds7

About N-hex-5-ynyl-3,4-dimethoxybenzamide

N-hex-5-ynyl-3,4-dimethoxybenzamide (PubChem CID 113256083) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-hex-5-ynyl-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-hex-5-ynyl-3,4-dimethoxybenzamide
PubChem CID113256083
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-hex-5-ynyl-3,4-dimethoxybenzamide
SMILESC#CCCCCNC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H19NO3/c1-4-5-6-7-10-16-15(17)12-8-9-13(18-2)14(11-12)19-3/h1,8-9,11H,5-7,10H2,2-3H3,(H,16,17)
InChIKeyVRAKGUZVVMZQMW-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hex-5-ynyl-3-methoxy-4-methylbenzamide
CID 103757934
3-fluoro-N-hex-5-ynyl-4-methoxybenzamide
CID 113256108
N-hex-5-ynyl-3-methoxy-4-nitrobenzamide
CID 103757993
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3,4-dimethyl-N-pent-4-ynylbenzamide
CID 103708908
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
3-fluoro-N-hex-5-ynyl-4-methylbenzamide
CID 103757933
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
4-amino-N-hex-5-ynyl-2-methoxybenzamide
CID 106208174

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-3,4-dimethoxybenzamide?
The IUPAC name of N-hex-5-ynyl-3,4-dimethoxybenzamide (CID 113256083) is N-hex-5-ynyl-3,4-dimethoxybenzamide.
What is the SMILES notation for N-hex-5-ynyl-3,4-dimethoxybenzamide?
The canonical SMILES for N-hex-5-ynyl-3,4-dimethoxybenzamide is C#CCCCCNC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-hex-5-ynyl-3,4-dimethoxybenzamide?
The InChIKey is VRAKGUZVVMZQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-4-5-6-7-10-16-15(17)12-8-9-13(18-2)14(11-12)19-3/h1,8-9,11H,5-7,10H2,2-3H3,(H,16,17).
What are the key properties of N-hex-5-ynyl-3,4-dimethoxybenzamide?
N-hex-5-ynyl-3,4-dimethoxybenzamide has a molecular weight of 261.32 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-3,4-dimethoxybenzamide is sourced from PubChem (CID 113256083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).