N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide

C14H18N2O2 — CID 112722694

IUPACN-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccccc1OCCC
InChIInChI=1S/C14H18N2O2/c1-3-9-15-11-14(17)16-12-7-5-6-8-13(12)18-10-4-2/h1,5-8,15H,4,9-11H2,2H3,(H,16,17)
InChIKeyWCNXKJWOVAEYJY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.64
Rot. Bonds7

About N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide

N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 112722694) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
PubChem CID112722694
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1ccccc1OCCC
InChIInChI=1S/C14H18N2O2/c1-3-9-15-11-14(17)16-12-7-5-6-8-13(12)18-10-4-2/h1,5-8,15H,4,9-11H2,2H3,(H,16,17)
InChIKeyWCNXKJWOVAEYJY-UHFFFAOYSA-N
XLogP1.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.64
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-anilino-N-(2-propoxyphenyl)acetamide
CID 51286142
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
N-(3-chloro-4-propoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286490
methyl N-(2-propoxyphenyl)carbamate
CID 19872099
2-[2-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]acetic acid
CID 79271614
N-(4-methylphenyl)-2-[2-oxo-2-(2-propoxyanilino)ethyl]sulfanylacetamide
CID 34345609
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
2-(2-methoxyethoxy)-N-(2-propoxyphenyl)acetamide
CID 103606695
N-(2-ethylsulfonylphenyl)-2-(prop-2-ynylamino)acetamide
CID 79287541
N-(2-butoxyphenyl)propanamide
CID 15943029
N-[2-(2-phenoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820282

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide (CID 112722694) is N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1ccccc1OCCC.
What is the InChIKey of N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is WCNXKJWOVAEYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-9-15-11-14(17)16-12-7-5-6-8-13(12)18-10-4-2/h1,5-8,15H,4,9-11H2,2H3,(H,16,17).
What are the key properties of N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide?
N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyphenyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 112722694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).