N-phenylmethoxyprop-2-enamide

C10H11NO2 — CID 15638264

IUPACN-phenylmethoxyprop-2-enamide
SMILESC=CC(=O)NOCc1ccccc1
InChIInChI=1S/C10H11NO2/c1-2-10(12)11-13-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)
InChIKeyQPMVQTZCXRUZMM-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.42
Rot. Bonds4

About N-phenylmethoxyprop-2-enamide

N-phenylmethoxyprop-2-enamide (PubChem CID 15638264) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is N-phenylmethoxyprop-2-enamide.

Molecular Properties

Compound NameN-phenylmethoxyprop-2-enamide
PubChem CID15638264
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC NameN-phenylmethoxyprop-2-enamide
SMILESC=CC(=O)NOCc1ccccc1
InChIInChI=1S/C10H11NO2/c1-2-10(12)11-13-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)
InChIKeyQPMVQTZCXRUZMM-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
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

CID 231398
CID 231398
CID 70318
CID 70318
CID 44423683
CID 44423683
CID 3845653
CID 3845653
CID 251744
CID 251744
CID 15366667
CID 15366667
CID 1484513
CID 1484513
CID 6474831
CID 6474831
CID 13352732
CID 13352732
CID 13352927
CID 13352927
CID 89850659
CID 89850659
CID 824729
CID 824729

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxyprop-2-enamide?
The IUPAC name of N-phenylmethoxyprop-2-enamide (CID 15638264) is N-phenylmethoxyprop-2-enamide.
What is the SMILES notation for N-phenylmethoxyprop-2-enamide?
The canonical SMILES for N-phenylmethoxyprop-2-enamide is C=CC(=O)NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxyprop-2-enamide?
The InChIKey is QPMVQTZCXRUZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-10(12)11-13-8-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12).
What are the key properties of N-phenylmethoxyprop-2-enamide?
N-phenylmethoxyprop-2-enamide has a molecular weight of 177.20 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxyprop-2-enamide is sourced from PubChem (CID 15638264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).