N-(2-methoxyphenyl)pent-4-ynamide

C12H13NO2 — CID 82363143

IUPACN-(2-methoxyphenyl)pent-4-ynamide
SMILESC#CCCC(=O)Nc1ccccc1OC
InChIInChI=1S/C12H13NO2/c1-3-4-9-12(14)13-10-7-5-6-8-11(10)15-2/h1,5-8H,4,9H2,2H3,(H,13,14)
InChIKeyUICOXKQKZREDDX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.05
Rot. Bonds4

About N-(2-methoxyphenyl)pent-4-ynamide

N-(2-methoxyphenyl)pent-4-ynamide (PubChem CID 82363143) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(2-methoxyphenyl)pent-4-ynamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)pent-4-ynamide
PubChem CID82363143
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-(2-methoxyphenyl)pent-4-ynamide
SMILESC#CCCC(=O)Nc1ccccc1OC
InChIInChI=1S/C12H13NO2/c1-3-4-9-12(14)13-10-7-5-6-8-11(10)15-2/h1,5-8H,4,9H2,2H3,(H,13,14)
InChIKeyUICOXKQKZREDDX-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-methoxyphenyl)pent-4-ynamide
CID 106741399
2-(hex-5-ynylamino)-N-(2-methoxyphenyl)acetamide
CID 106211964
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
4,4,4-trifluoro-N-(2-methoxyphenyl)butanamide
CID 155941258
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
CID 114028604
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
3-[2-hydroxyethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 62020448

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)pent-4-ynamide?
The IUPAC name of N-(2-methoxyphenyl)pent-4-ynamide (CID 82363143) is N-(2-methoxyphenyl)pent-4-ynamide.
What is the SMILES notation for N-(2-methoxyphenyl)pent-4-ynamide?
The canonical SMILES for N-(2-methoxyphenyl)pent-4-ynamide is C#CCCC(=O)Nc1ccccc1OC.
What is the InChIKey of N-(2-methoxyphenyl)pent-4-ynamide?
The InChIKey is UICOXKQKZREDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-4-9-12(14)13-10-7-5-6-8-11(10)15-2/h1,5-8H,4,9H2,2H3,(H,13,14).
What are the key properties of N-(2-methoxyphenyl)pent-4-ynamide?
N-(2-methoxyphenyl)pent-4-ynamide has a molecular weight of 203.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)pent-4-ynamide is sourced from PubChem (CID 82363143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).