N-phenylprop-2-enamide;2-phenylprop-2-enamide

C18H18N2O2 — CID 159638703

IUPACN-phenylprop-2-enamide;2-phenylprop-2-enamide
SMILESC=C(C(N)=O)c1ccccc1.C=CC(=O)Nc1ccccc1
InChIInChI=1S/2C9H9NO/c1-7(9(10)11)8-5-3-2-4-6-8;1-2-9(11)10-8-6-4-3-5-7-8/h2-6H,1H2,(H2,10,11);2-7H,1H2,(H,10,11)
InChIKeyMQBMPTOKNRXTQV-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.00
Rot. Bonds4

About N-phenylprop-2-enamide;2-phenylprop-2-enamide

N-phenylprop-2-enamide;2-phenylprop-2-enamide (PubChem CID 159638703) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-phenylprop-2-enamide;2-phenylprop-2-enamide.

Molecular Properties

Compound NameN-phenylprop-2-enamide;2-phenylprop-2-enamide
PubChem CID159638703
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-phenylprop-2-enamide;2-phenylprop-2-enamide
SMILESC=C(C(N)=O)c1ccccc1.C=CC(=O)Nc1ccccc1
InChIInChI=1S/2C9H9NO/c1-7(9(10)11)8-5-3-2-4-6-8;1-2-9(11)10-8-6-4-3-5-7-8/h2-6H,1H2,(H2,10,11);2-7H,1H2,(H,10,11)
InChIKeyMQBMPTOKNRXTQV-UHFFFAOYSA-N
XLogP3.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[amino-[4-(prop-2-enoylamino)phenyl]methylidene]azanium
CID 137274434
N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 21498516
N-[[amino(phenyl)methylidene]amino]prop-2-enamide
CID 69455899
CID 162324012
CID 162324012
N-(phenylcarbamothioyl)prop-2-enamide
CID 53233113
benzamide;phenylurea
CID 143432016
3-deuterio-2-phenylprop-2-enamide
CID 132851311
2-phenylprop-2-enoic acid;prop-2-enoic acid
CID 70022748
(E)-4-oxo-N,4-diphenylbut-2-enamide
CID 12588042
N'-phenylprop-2-enehydrazide
CID 21179187
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138
N-(4-iodophenyl)-3-(prop-2-enoylamino)benzamide
CID 166287423

Frequently Asked Questions

What is the IUPAC name of N-phenylprop-2-enamide;2-phenylprop-2-enamide?
The IUPAC name of N-phenylprop-2-enamide;2-phenylprop-2-enamide (CID 159638703) is N-phenylprop-2-enamide;2-phenylprop-2-enamide.
What is the SMILES notation for N-phenylprop-2-enamide;2-phenylprop-2-enamide?
The canonical SMILES for N-phenylprop-2-enamide;2-phenylprop-2-enamide is C=C(C(N)=O)c1ccccc1.C=CC(=O)Nc1ccccc1.
What is the InChIKey of N-phenylprop-2-enamide;2-phenylprop-2-enamide?
The InChIKey is MQBMPTOKNRXTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H9NO/c1-7(9(10)11)8-5-3-2-4-6-8;1-2-9(11)10-8-6-4-3-5-7-8/h2-6H,1H2,(H2,10,11);2-7H,1H2,(H,10,11).
What are the key properties of N-phenylprop-2-enamide;2-phenylprop-2-enamide?
N-phenylprop-2-enamide;2-phenylprop-2-enamide has a molecular weight of 294.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylprop-2-enamide;2-phenylprop-2-enamide is sourced from PubChem (CID 159638703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).