N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide

C17H16N2O — CID 154139175

IUPACN-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C=Cc2ccccc2)c(N)c1
InChIInChI=1S/C17H16N2O/c1-2-17(20)19-15-11-10-14(16(18)12-15)9-8-13-6-4-3-5-7-13/h2-12H,1,18H2,(H,19,20)
InChIKeyDSEJVNFEZNWCBQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.56
Rot. Bonds4

About N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide

N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide (PubChem CID 154139175) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide
PubChem CID154139175
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C=Cc2ccccc2)c(N)c1
InChIInChI=1S/C17H16N2O/c1-2-17(20)19-15-11-10-14(16(18)12-15)9-8-13-6-4-3-5-7-13/h2-12H,1,18H2,(H,19,20)
InChIKeyDSEJVNFEZNWCBQ-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide (CID 154139175) is N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C=Cc2ccccc2)c(N)c1.
What is the InChIKey of N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide?
The InChIKey is DSEJVNFEZNWCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-17(20)19-15-11-10-14(16(18)12-15)9-8-13-6-4-3-5-7-13/h2-12H,1,18H2,(H,19,20).
What are the key properties of N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide?
N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide has a molecular weight of 264.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(2-phenylethenyl)phenyl]prop-2-enamide is sourced from PubChem (CID 154139175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).