methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide

C15H22N2O3 — CID 175300118

IUPACmethanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide
SMILESC=CC(=O)NCCc1ccccc1.C=CC(N)=O.CO
InChIInChI=1S/C11H13NO.C3H5NO.CH4O/c1-2-11(13)12-9-8-10-6-4-3-5-7-10;1-2-3(4)5;1-2/h2-7H,1,8-9H2,(H,12,13);2H,1H2,(H2,4,5);2H,1H3
InChIKeyKQXVJTOOITXXMM-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.80
Rot. Bonds5

About methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide

methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide (PubChem CID 175300118) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide.

Molecular Properties

Compound Namemethanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide
PubChem CID175300118
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide
SMILESC=CC(=O)NCCc1ccccc1.C=CC(N)=O.CO
InChIInChI=1S/C11H13NO.C3H5NO.CH4O/c1-2-11(13)12-9-8-10-6-4-3-5-7-10;1-2-3(4)5;1-2/h2-7H,1,8-9H2,(H,12,13);2H,1H2,(H2,4,5);2H,1H3
InChIKeyKQXVJTOOITXXMM-UHFFFAOYSA-N
XLogP0.80
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]prop-2-enamide
CID 43616522
2-(prop-2-enoylamino)ethyl N-benzylcarbamate
CID 166676407
N-benzylprop-2-enamide;2,3-dimethylbut-2-enamide
CID 174986700
dimethyl-[2-oxo-2-(2-phenylethoxy)ethyl]-[3-(prop-2-enoylamino)propyl]azanium
CID 142238013
N-(2-phenylethyl)-N'-prop-2-enyloxamide
CID 2058117
4-oxo-4-(2-phenylethylamino)but-2-enoate
CID 4295155
N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]prop-2-enamide
CID 22754679
tert-butyl 2-[4-[2-(prop-2-enoylamino)ethyl]phenyl]acetate
CID 159935899
prop-2-enyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 67260605
N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide
CID 177306579
N-benzylprop-2-enamide;N-butylbutan-1-amine
CID 66969925
2-phenylethylcarbamothioic S-acid
CID 11116669

Frequently Asked Questions

What is the IUPAC name of methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide?
The IUPAC name of methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide (CID 175300118) is methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide.
What is the SMILES notation for methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide?
The canonical SMILES for methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide is C=CC(=O)NCCc1ccccc1.C=CC(N)=O.CO.
What is the InChIKey of methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide?
The InChIKey is KQXVJTOOITXXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C3H5NO.CH4O/c1-2-11(13)12-9-8-10-6-4-3-5-7-10;1-2-3(4)5;1-2/h2-7H,1,8-9H2,(H,12,13);2H,1H2,(H2,4,5);2H,1H3.
What are the key properties of methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide?
methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide has a molecular weight of 278.35 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;N-(2-phenylethyl)prop-2-enamide;prop-2-enamide is sourced from PubChem (CID 175300118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).