(E)-3-(2-propoxyphenyl)prop-2-enamide

C12H15NO2 — CID 82040605

IUPAC(E)-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1/C=C/C(N)=O
InChIInChI=1S/C12H15NO2/c1-2-9-15-11-6-4-3-5-10(11)7-8-12(13)14/h3-8H,2,9H2,1H3,(H2,13,14)/b8-7+
InChIKeyNHDXBCSIGGHXBY-BQYQJAHWSA-N
MW205.26 g/mol
LogP1.97
Rot. Bonds5

About (E)-3-(2-propoxyphenyl)prop-2-enamide

(E)-3-(2-propoxyphenyl)prop-2-enamide (PubChem CID 82040605) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (E)-3-(2-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-propoxyphenyl)prop-2-enamide
PubChem CID82040605
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(E)-3-(2-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccccc1/C=C/C(N)=O
InChIInChI=1S/C12H15NO2/c1-2-9-15-11-6-4-3-5-10(11)7-8-12(13)14/h3-8H,2,9H2,1H3,(H2,13,14)/b8-7+
InChIKeyNHDXBCSIGGHXBY-BQYQJAHWSA-N
XLogP1.97
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-amino-3-oxoprop-1-enyl)phenoxy]acetic acid
CID 169482271
propan-2-yl (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 102534792
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
(4-bromophenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207692
3-(2-propoxyphenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 4089230
3-(2-undecoxyphenyl)prop-2-enoic acid
CID 139730297
ethyl (E)-3-(2-heptoxyphenyl)prop-2-enoate
CID 69051271
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
[4-(4-methylphenyl)phenyl] (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207703
(4-acetylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207715
(4-tert-butylphenyl) (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 19207685
ethane;1-prop-1-enyl-2-propoxybenzene
CID 91525443

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-propoxyphenyl)prop-2-enamide (CID 82040605) is (E)-3-(2-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-propoxyphenyl)prop-2-enamide is CCCOc1ccccc1/C=C/C(N)=O.
What is the InChIKey of (E)-3-(2-propoxyphenyl)prop-2-enamide?
The InChIKey is NHDXBCSIGGHXBY-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-9-15-11-6-4-3-5-10(11)7-8-12(13)14/h3-8H,2,9H2,1H3,(H2,13,14)/b8-7+.
What are the key properties of (E)-3-(2-propoxyphenyl)prop-2-enamide?
(E)-3-(2-propoxyphenyl)prop-2-enamide has a molecular weight of 205.26 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 82040605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).