(E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide

C15H19NO2 — CID 43577156

IUPAC(E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)N(CCO)C1CC1
InChIInChI=1S/C15H19NO2/c1-12-4-2-3-5-13(12)6-9-15(18)16(10-11-17)14-7-8-14/h2-6,9,14,17H,7-8,10-11H2,1H3/b9-6+
InChIKeyOBKJPLQHVOQFJB-RMKNXTFCSA-N
MW245.32 g/mol
LogP1.99
Rot. Bonds5

About (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide

(E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide (PubChem CID 43577156) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide
PubChem CID43577156
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide
SMILESCc1ccccc1/C=C/C(=O)N(CCO)C1CC1
InChIInChI=1S/C15H19NO2/c1-12-4-2-3-5-13(12)6-9-15(18)16(10-11-17)14-7-8-14/h2-6,9,14,17H,7-8,10-11H2,1H3/b9-6+
InChIKeyOBKJPLQHVOQFJB-RMKNXTFCSA-N
XLogP1.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.99
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

(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(2-nitrophenyl)prop-2-enamide
CID 102684933
(E)-N-cyclobutyl-3-(2,3-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684628
(E)-3-(3-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)prop-2-enamide
CID 43577307
(E)-N-cyclopropyl-3-(3-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43577305
(E)-3-[5-[cyclopropyl(2-hydroxyethyl)carbamoyl]-2-methylphenyl]prop-2-enoic acid
CID 81476873
(E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684272
2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 129408081
2-[cyclopropyl-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 60826708
(E)-N-cyclopropyl-N-(4-hydroxybutyl)-3-quinolin-4-ylprop-2-enamide
CID 109388190
N-cyclopentyl-N-(2-hydroxyethyl)-2-(2-methylphenyl)acetamide
CID 54994021
(E)-3-(2-chlorophenyl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 884483
N-(4-aminocyclohexyl)-3-phenyl-N-propylprop-2-enamide
CID 79116877

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide (CID 43577156) is (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide is Cc1ccccc1/C=C/C(=O)N(CCO)C1CC1.
What is the InChIKey of (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide?
The InChIKey is OBKJPLQHVOQFJB-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-4-2-3-5-13(12)6-9-15(18)16(10-11-17)14-7-8-14/h2-6,9,14,17H,7-8,10-11H2,1H3/b9-6+.
What are the key properties of (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide?
(E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide has a molecular weight of 245.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-N-(2-hydroxyethyl)-3-(2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 43577156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).