(E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide

C19H19NO3 — CID 94763034

IUPAC(E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide
SMILESCCCOc1ccc(C=O)cc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H19NO3/c1-2-12-23-18-10-8-16(14-21)13-17(18)20-19(22)11-9-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,20,22)/b11-9+
InChIKeyWZUUZFMMCASKLW-PKNBQFBNSA-N
MW309.37 g/mol
LogP3.94
Rot. Bonds7

About (E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide

(E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide (PubChem CID 94763034) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide
PubChem CID94763034
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide
SMILESCCCOc1ccc(C=O)cc1NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C19H19NO3/c1-2-12-23-18-10-8-16(14-21)13-17(18)20-19(22)11-9-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,20,22)/b11-9+
InChIKeyWZUUZFMMCASKLW-PKNBQFBNSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 89064883
N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide
CID 82156208
N-[2,5-diethoxy-4-[[(E)-3-(4-propoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 19181852
N-(2-fluorophenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 5127825
3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide
CID 94763029
methyl 2-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 4224140
(E)-3-(3-butoxy-4-methoxyphenyl)-N-(2-formylphenyl)prop-2-enamide
CID 89064875
(E)-N-(2-iodophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 55771428
N-(3,4-dipropoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55350434
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 4224141
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-phenylprop-2-enamide
CID 135359423

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide (CID 94763034) is (E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide is CCCOc1ccc(C=O)cc1NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is WZUUZFMMCASKLW-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-12-23-18-10-8-16(14-21)13-17(18)20-19(22)11-9-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,20,22)/b11-9+.
What are the key properties of (E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide?
(E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 309.37 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 94763034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).