2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide

C12H14N2O2 — CID 28607461

IUPAC2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide
SMILESC#CCOc1ccccc1CNCC(N)=O
InChIInChI=1S/C12H14N2O2/c1-2-7-16-11-6-4-3-5-10(11)8-14-9-12(13)15/h1,3-6,14H,7-9H2,(H2,13,15)
InChIKeyQVNJYWPWPYEZAT-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.27
Rot. Bonds6

About 2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide

2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide (PubChem CID 28607461) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide
PubChem CID28607461
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide
SMILESC#CCOc1ccccc1CNCC(N)=O
InChIInChI=1S/C12H14N2O2/c1-2-7-16-11-6-4-3-5-10(11)8-14-9-12(13)15/h1,3-6,14H,7-9H2,(H2,13,15)
InChIKeyQVNJYWPWPYEZAT-UHFFFAOYSA-N
XLogP0.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-prop-2-ynoxyphenyl)methylamino]butanamide
CID 113250252
4-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]phenol
CID 115603324
3-methyl-N-[(2-prop-2-ynoxyphenyl)methyl]but-2-en-1-amine
CID 103527938
2-ethyl-2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]butan-1-ol
CID 103845579
3-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 66004348
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 115616903
3-methylsulfonyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 54904630
N-[2-[(2-prop-2-ynoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732455
2-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 113320318
methyl 4-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]pentanoate
CID 43688899
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
2-[(2-ethylphenyl)methylamino]acetamide
CID 62392428

Frequently Asked Questions

What is the IUPAC name of 2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide?
The IUPAC name of 2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide (CID 28607461) is 2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide.
What is the SMILES notation for 2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide?
The canonical SMILES for 2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide is C#CCOc1ccccc1CNCC(N)=O.
What is the InChIKey of 2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide?
The InChIKey is QVNJYWPWPYEZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-7-16-11-6-4-3-5-10(11)8-14-9-12(13)15/h1,3-6,14H,7-9H2,(H2,13,15).
What are the key properties of 2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide?
2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide has a molecular weight of 218.26 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 28607461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).