N-hex-5-ynyl-3-methoxy-4-methylbenzamide

C15H19NO2 — CID 103757934

IUPACN-hex-5-ynyl-3-methoxy-4-methylbenzamide
SMILESC#CCCCCNC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C15H19NO2/c1-4-5-6-7-10-16-15(17)13-9-8-12(2)14(11-13)18-3/h1,8-9,11H,5-7,10H2,2-3H3,(H,16,17)
InChIKeyLRLLOYNSALEVNR-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.54
Rot. Bonds6

About N-hex-5-ynyl-3-methoxy-4-methylbenzamide

N-hex-5-ynyl-3-methoxy-4-methylbenzamide (PubChem CID 103757934) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-hex-5-ynyl-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-hex-5-ynyl-3-methoxy-4-methylbenzamide
PubChem CID103757934
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-hex-5-ynyl-3-methoxy-4-methylbenzamide
SMILESC#CCCCCNC(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C15H19NO2/c1-4-5-6-7-10-16-15(17)13-9-8-12(2)14(11-13)18-3/h1,8-9,11H,5-7,10H2,2-3H3,(H,16,17)
InChIKeyLRLLOYNSALEVNR-UHFFFAOYSA-N
XLogP2.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3,4-dimethoxybenzamide
CID 113256083
3-fluoro-N-hex-5-ynyl-4-methoxybenzamide
CID 113256108
N-hex-5-ynyl-3-methoxy-4-nitrobenzamide
CID 103757993
3,4-dimethyl-N-pent-4-ynylbenzamide
CID 103708908
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
3-fluoro-N-hex-5-ynyl-4-methylbenzamide
CID 103757933
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
4-bromo-3-methyl-N-pent-4-ynylbenzamide
CID 103855215
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
4-amino-N-hex-5-ynyl-2-methoxybenzamide
CID 106208174
3-methoxy-4-methyl-N-[(E)-pent-3-enyl]benzamide
CID 115628304

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynyl-3-methoxy-4-methylbenzamide?
The IUPAC name of N-hex-5-ynyl-3-methoxy-4-methylbenzamide (CID 103757934) is N-hex-5-ynyl-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-hex-5-ynyl-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-hex-5-ynyl-3-methoxy-4-methylbenzamide is C#CCCCCNC(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of N-hex-5-ynyl-3-methoxy-4-methylbenzamide?
The InChIKey is LRLLOYNSALEVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-5-6-7-10-16-15(17)13-9-8-12(2)14(11-13)18-3/h1,8-9,11H,5-7,10H2,2-3H3,(H,16,17).
What are the key properties of N-hex-5-ynyl-3-methoxy-4-methylbenzamide?
N-hex-5-ynyl-3-methoxy-4-methylbenzamide has a molecular weight of 245.32 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynyl-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 103757934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).