N-benzyl-N-methoxyprop-2-enamide

C11H13NO2 — CID 86239438

IUPACN-benzyl-N-methoxyprop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)OC
InChIInChI=1S/C11H13NO2/c1-3-11(13)12(14-2)9-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeyXVYWJHJYCNYHEP-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.76
Rot. Bonds4

About N-benzyl-N-methoxyprop-2-enamide

N-benzyl-N-methoxyprop-2-enamide (PubChem CID 86239438) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-benzyl-N-methoxyprop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-methoxyprop-2-enamide
PubChem CID86239438
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-benzyl-N-methoxyprop-2-enamide
SMILESC=CC(=O)N(Cc1ccccc1)OC
InChIInChI=1S/C11H13NO2/c1-3-11(13)12(14-2)9-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeyXVYWJHJYCNYHEP-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-hydroxy-N-methoxybenzamide
CID 135068779
N-methoxy-N-phenylprop-2-enamide
CID 11816178
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
3-[benzyl(prop-2-enoyl)amino]propanamide
CID 54875316
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide
CID 174647778
(Z)-2-hydroxy-4-[methoxy-[(4-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 59098252
N-benzyl-N-pentylprop-2-enamide
CID 176825792
benzyl(ethenyl)carbamic acid
CID 22377754
(Z)-4-[(4-fluorophenyl)methyl-methoxyamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54706524
N-[(4-hydroxyphenyl)methyl]-N-methoxy-3-phenylpropanamide
CID 71423606
N-benzyl-N-[1-(4-methylphenyl)ethenyl]prop-2-enamide
CID 175521357
(E)-4-[(4-fluorophenyl)methyl-methoxyamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 87892804

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methoxyprop-2-enamide?
The IUPAC name of N-benzyl-N-methoxyprop-2-enamide (CID 86239438) is N-benzyl-N-methoxyprop-2-enamide.
What is the SMILES notation for N-benzyl-N-methoxyprop-2-enamide?
The canonical SMILES for N-benzyl-N-methoxyprop-2-enamide is C=CC(=O)N(Cc1ccccc1)OC.
What is the InChIKey of N-benzyl-N-methoxyprop-2-enamide?
The InChIKey is XVYWJHJYCNYHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-11(13)12(14-2)9-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3.
What are the key properties of N-benzyl-N-methoxyprop-2-enamide?
N-benzyl-N-methoxyprop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methoxyprop-2-enamide is sourced from PubChem (CID 86239438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).