N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide

C13H17NO2 — CID 15852656

IUPACN-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide
SMILESC/C=C/OC(c1ccccc1)N(C)C(C)=O
InChIInChI=1S/C13H17NO2/c1-4-10-16-13(14(3)11(2)15)12-8-6-5-7-9-12/h4-10,13H,1-3H3/b10-4+
InChIKeyZJICRARQWRHFQB-ONNFQVAWSA-N
MW219.28 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide

N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide (PubChem CID 15852656) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide
PubChem CID15852656
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide
SMILESC/C=C/OC(c1ccccc1)N(C)C(C)=O
InChIInChI=1S/C13H17NO2/c1-4-10-16-13(14(3)11(2)15)12-8-6-5-7-9-12/h4-10,13H,1-3H3/b10-4+
InChIKeyZJICRARQWRHFQB-ONNFQVAWSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-5-methoxy-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 11481653
1-[2-[4-[(Dimethylamino)methyl]phenyl]ethyl]-4-phenylmethoxypyridin-2-one
CID 122184832
1-benzyl-4-(benzyloxy)pyridin-2(1H)-one
CID 10193032
1-benzyl-4-(benzyloxy)-3-methylpyridin-2(1H)-one
CID 10193155
1-benzyl-4-(benzyloxy)-3-ethylpyridin-2(1H)-one
CID 22050258
1-benzyl-4-(benzyloxy)-3-iodopyridin-2(1H)-one
CID 22050830
2-(4-Benzyloxy-cyclohexa-1,3-dienyl)-N-methyl-N-phenethyl-acetamide
CID 44356239
1-benzyl-4-(benzyloxy)-3-vinylpyridin-2(1H)-one
CID 22051118
Benzyl 5-methyl-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 118388619
Benzyl diethylcarbamate
CID 10262437
Phenylmethyl N,N-di-2-propen-1-ylcarbamate
CID 11470283
benzyl N,N-dipropylcarbamate
CID 11846245

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide?
The IUPAC name of N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide (CID 15852656) is N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide?
The canonical SMILES for N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide is C/C=C/OC(c1ccccc1)N(C)C(C)=O.
What is the InChIKey of N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide?
The InChIKey is ZJICRARQWRHFQB-ONNFQVAWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-10-16-13(14(3)11(2)15)12-8-6-5-7-9-12/h4-10,13H,1-3H3/b10-4+.
What are the key properties of N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide?
N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide has a molecular weight of 219.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[phenyl-[(E)-prop-1-enoxy]methyl]acetamide is sourced from PubChem (CID 15852656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).