(E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide

C15H21NO3 — CID 115771272

IUPAC(E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCCN(CCCO)C(=O)/C=C/c1cccc(OC)c1
InChIInChI=1S/C15H21NO3/c1-3-16(10-5-11-17)15(18)9-8-13-6-4-7-14(12-13)19-2/h4,6-9,12,17H,3,5,10-11H2,1-2H3/b9-8+
InChIKeyLLBBEJOMQDZEGI-CMDGGOBGSA-N
MW263.34 g/mol
LogP1.94
Rot. Bonds7

About (E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 115771272) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID115771272
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCCN(CCCO)C(=O)/C=C/c1cccc(OC)c1
InChIInChI=1S/C15H21NO3/c1-3-16(10-5-11-17)15(18)9-8-13-6-4-7-14(12-13)19-2/h4,6-9,12,17H,3,5,10-11H2,1-2H3/b9-8+
InChIKeyLLBBEJOMQDZEGI-CMDGGOBGSA-N
XLogP1.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942
(E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 82354408
(E)-3-(3-bromophenyl)-N-ethyl-N-(3-hydroxypropyl)prop-2-enamide
CID 115771892
(E)-N-(cyanomethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 47074626
(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methoxyethyl)prop-2-enamide
CID 115343730
N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
2-[3-(3-methoxyphenyl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79263563
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 126836586
(E)-N-[2-(ethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 47255947
ethyl 6-(3-methoxyphenyl)-4-oxohex-5-enoate
CID 175343436
3-[ethyl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 61008451

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide (CID 115771272) is (E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide is CCN(CCCO)C(=O)/C=C/c1cccc(OC)c1.
What is the InChIKey of (E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is LLBBEJOMQDZEGI-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-16(10-5-11-17)15(18)9-8-13-6-4-7-14(12-13)19-2/h4,6-9,12,17H,3,5,10-11H2,1-2H3/b9-8+.
What are the key properties of (E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 115771272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).