2-phenylmethoxy-N-prop-2-ynylacetamide

C12H13NO2 — CID 121011063

IUPAC2-phenylmethoxy-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COCc1ccccc1
InChIInChI=1S/C12H13NO2/c1-2-8-13-12(14)10-15-9-11-6-4-3-5-7-11/h1,3-7H,8-10H2,(H,13,14)
InChIKeyYJNUNRVCCQUPID-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.95
Rot. Bonds5

About 2-phenylmethoxy-N-prop-2-ynylacetamide

2-phenylmethoxy-N-prop-2-ynylacetamide (PubChem CID 121011063) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-phenylmethoxy-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-prop-2-ynylacetamide
PubChem CID121011063
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-phenylmethoxy-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)COCc1ccccc1
InChIInChI=1S/C12H13NO2/c1-2-8-13-12(14)10-15-9-11-6-4-3-5-7-11/h1,3-7H,8-10H2,(H,13,14)
InChIKeyYJNUNRVCCQUPID-UHFFFAOYSA-N
XLogP0.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.95
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

4-Benzyloxy-3-pyrrolin-2-one
CID 2724741
5-Methyl-6-phenyl-3-morpholinone
CID 21789
Benzyl prop-2-yn-1-ylcarbamate
CID 11137906
N-Acetyl-N-desmethyldiphenhydramine
CID 86155091
Glycyl-glycine benzyl ester hydrochloride
CID 13996146
2-(Benzyloxy)acetamide
CID 14984919
Prop-2-yn-1-yl 2-{[(benzyloxy)carbonyl]amino}acetate
CID 11345620
Benzyl 2-[(2-aminoacetyl)amino]acetate
CID 337781
Methyl 2-oxo-2-[(2-oxo-2-phenylmethoxyethyl)amino]acetate
CID 14991437
Benzyl 2-[(2-iodoacetyl)amino]acetate
CID 85907519
N-Methyl-2-benzyloxyethylamine
CID 268107
2-(Benzyloxy)-N-methoxy-N-methylacetamide
CID 11458464

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-prop-2-ynylacetamide?
The IUPAC name of 2-phenylmethoxy-N-prop-2-ynylacetamide (CID 121011063) is 2-phenylmethoxy-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-phenylmethoxy-N-prop-2-ynylacetamide?
The canonical SMILES for 2-phenylmethoxy-N-prop-2-ynylacetamide is C#CCNC(=O)COCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-N-prop-2-ynylacetamide?
The InChIKey is YJNUNRVCCQUPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-8-13-12(14)10-15-9-11-6-4-3-5-7-11/h1,3-7H,8-10H2,(H,13,14).
What are the key properties of 2-phenylmethoxy-N-prop-2-ynylacetamide?
2-phenylmethoxy-N-prop-2-ynylacetamide has a molecular weight of 203.24 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-prop-2-ynylacetamide is sourced from PubChem (CID 121011063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).