N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide

C14H18N2O — CID 114028604

IUPACN-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
SMILESC#CCCC(=O)Nc1ccccc1CNCC
InChIInChI=1S/C14H18N2O/c1-3-5-10-14(17)16-13-9-7-6-8-12(13)11-15-4-2/h1,6-9,15H,4-5,10-11H2,2H3,(H,16,17)
InChIKeyGOOIUDVOEOMFEI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide

N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide (PubChem CID 114028604) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
PubChem CID114028604
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
SMILESC#CCCC(=O)Nc1ccccc1CNCC
InChIInChI=1S/C14H18N2O/c1-3-5-10-14(17)16-13-9-7-6-8-12(13)11-15-4-2/h1,6-9,15H,4-5,10-11H2,2H3,(H,16,17)
InChIKeyGOOIUDVOEOMFEI-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 119440695
N-[2-(ethylaminomethyl)phenyl]pent-4-enamide
CID 62678727
N-[2-(ethylaminomethyl)phenyl]-5,5-dimethylhexanamide
CID 119440882
N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119439339
N-(2-aminophenyl)pent-4-ynamide
CID 102315557
N'-[2-(ethylaminomethyl)phenyl]-N-propylpentanediamide;hydrochloride
CID 119440586
N-(2-methoxyphenyl)pent-4-ynamide
CID 82363143
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 119439282

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide (CID 114028604) is N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide is C#CCCC(=O)Nc1ccccc1CNCC.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide?
The InChIKey is GOOIUDVOEOMFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-5-10-14(17)16-13-9-7-6-8-12(13)11-15-4-2/h1,6-9,15H,4-5,10-11H2,2H3,(H,16,17).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide?
N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide has a molecular weight of 230.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide is sourced from PubChem (CID 114028604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).