5-(4-methoxyphenyl)pent-4-ynamide

C12H13NO2 — CID 125493873

IUPAC5-(4-methoxyphenyl)pent-4-ynamide
SMILESCOc1ccc(C#CCCC(N)=O)cc1
InChIInChI=1S/C12H13NO2/c1-15-11-8-6-10(7-9-11)4-2-3-5-12(13)14/h6-9H,3,5H2,1H3,(H2,13,14)
InChIKeyCQWJFBRAKZUJRG-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.31
Rot. Bonds3

About 5-(4-methoxyphenyl)pent-4-ynamide

5-(4-methoxyphenyl)pent-4-ynamide (PubChem CID 125493873) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)pent-4-ynamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)pent-4-ynamide
PubChem CID125493873
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-(4-methoxyphenyl)pent-4-ynamide
SMILESCOc1ccc(C#CCCC(N)=O)cc1
InChIInChI=1S/C12H13NO2/c1-15-11-8-6-10(7-9-11)4-2-3-5-12(13)14/h6-9H,3,5H2,1H3,(H2,13,14)
InChIKeyCQWJFBRAKZUJRG-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.31
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

2-methylpropyl 5-(4-methoxyphenyl)pent-4-ynoate
CID 57381830
methyl 5-(6-methoxynaphthalen-2-yl)pent-4-ynoate
CID 102479006
1-hex-1-ynyl-4-[2-(4-methoxyphenyl)ethynyl]benzene
CID 67827439
ethyl N-[3-(4-methoxyphenyl)prop-2-ynyl]carbamate
CID 90549022
1-(3-chloroprop-1-ynyl)-4-methoxybenzene
CID 60801100
1-(7-iodohept-1-ynyl)-4-methoxybenzene
CID 102309739
3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
CID 90549032
5-(3-methoxyphenyl)pent-4-ynoic acid
CID 83700907
5-(4-methoxyphenyl)pentanamide
CID 134389506
4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
CID 54995677
N-[3-(4-methoxyphenyl)prop-2-ynyl]pent-4-enamide
CID 90548876
1-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]propan-1-one
CID 139662711

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)pent-4-ynamide?
The IUPAC name of 5-(4-methoxyphenyl)pent-4-ynamide (CID 125493873) is 5-(4-methoxyphenyl)pent-4-ynamide.
What is the SMILES notation for 5-(4-methoxyphenyl)pent-4-ynamide?
The canonical SMILES for 5-(4-methoxyphenyl)pent-4-ynamide is COc1ccc(C#CCCC(N)=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)pent-4-ynamide?
The InChIKey is CQWJFBRAKZUJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-15-11-8-6-10(7-9-11)4-2-3-5-12(13)14/h6-9H,3,5H2,1H3,(H2,13,14).
What are the key properties of 5-(4-methoxyphenyl)pent-4-ynamide?
5-(4-methoxyphenyl)pent-4-ynamide has a molecular weight of 203.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)pent-4-ynamide is sourced from PubChem (CID 125493873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).