N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide

C15H21NO2 — CID 102603478

IUPACN-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide
SMILESCCOCCCNC(=O)C=Cc1cccc(C)c1
InChIInChI=1S/C15H21NO2/c1-3-18-11-5-10-16-15(17)9-8-14-7-4-6-13(2)12-14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,16,17)
InChIKeyKIOOCWYGGBCHJC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.55
Rot. Bonds7

About N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide

N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide (PubChem CID 102603478) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide
PubChem CID102603478
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide
SMILESCCOCCCNC(=O)C=Cc1cccc(C)c1
InChIInChI=1S/C15H21NO2/c1-3-18-11-5-10-16-15(17)9-8-14-7-4-6-13(2)12-14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,16,17)
InChIKeyKIOOCWYGGBCHJC-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-methylphenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide
CID 108934921
(E)-3-(3-methylphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]prop-2-enamide
CID 115699968
6-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]hexanoic acid
CID 43238449
methyl 3-[[(Z)-3-(3-methylphenyl)prop-2-enoyl]amino]propanoate
CID 96561918
2-ethoxyethyl (E)-3-(3-methylphenyl)prop-2-enoate
CID 78832150
ethyl 4-[4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]butanoylamino]piperidine-1-carboxylate
CID 39028323
N-[4-(N-methylanilino)butyl]-3-(3-methylphenyl)prop-2-enamide
CID 76868918
ethyl 4-[3-(3-chlorophenyl)prop-2-enoylamino]butanoate
CID 76872175
N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 55801583
(E)-3-(4-methoxyphenyl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 27039844
(E)-N-(3-ethoxypropyl)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enamide
CID 46798919
4-[3-(3-ethoxyphenyl)prop-2-enoylamino]butanoic acid
CID 131846324

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide?
The IUPAC name of N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide (CID 102603478) is N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide is CCOCCCNC(=O)C=Cc1cccc(C)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide?
The InChIKey is KIOOCWYGGBCHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-11-5-10-16-15(17)9-8-14-7-4-6-13(2)12-14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,16,17).
What are the key properties of N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide?
N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-(3-methylphenyl)prop-2-enamide is sourced from PubChem (CID 102603478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).