N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide

C14H18N2O2 — CID 113405112

IUPACN-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide
SMILESCOCCNC(=O)CNCC#Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-18-11-10-16-14(17)12-15-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,15H,9-12H2,1H3,(H,16,17)
InChIKeyOEDNVZUMILXCPC-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.39
Rot. Bonds6

About N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide

N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide (PubChem CID 113405112) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide
PubChem CID113405112
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide
SMILESCOCCNC(=O)CNCC#Cc1ccccc1
InChIInChI=1S/C14H18N2O2/c1-18-11-10-16-14(17)12-15-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,15H,9-12H2,1H3,(H,16,17)
InChIKeyOEDNVZUMILXCPC-UHFFFAOYSA-N
XLogP0.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
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

2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693730
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]phenyl]acetic acid
CID 103263896
2-[2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
CID 115923787
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
N-(2-methoxyethyl)-2-(1-phenylpropylamino)acetamide
CID 54845797
(2S)-N-hydroxy-N'-(2-methoxyethyl)-2-[[4-(2-phenylethynyl)benzoyl]amino]butanediamide
CID 71580275
N-(2-methoxyethyl)-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 113405048
2-(2-methoxyethylamino)-N-(2-naphthalen-1-yloxyethyl)acetamide;hydrochloride
CID 119738774
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide (CID 113405112) is N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide is COCCNC(=O)CNCC#Cc1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide?
The InChIKey is OEDNVZUMILXCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-11-10-16-14(17)12-15-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,15H,9-12H2,1H3,(H,16,17).
What are the key properties of N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide?
N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide has a molecular weight of 246.31 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-phenylprop-2-ynylamino)acetamide is sourced from PubChem (CID 113405112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).