(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide

C16H22N2O3 — CID 8752123

IUPAC(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OCC)cc1
InChIInChI=1S/C16H22N2O3/c1-4-17-16(20)12(3)18-15(19)11-8-13-6-9-14(10-7-13)21-5-2/h6-12H,4-5H2,1-3H3,(H,17,20)(H,18,19)/b11-8+/t12-/m1/s1
InChIKeyHKHYJFVAVQTIJG-JATZPVMKSA-N
MW290.36 g/mol
LogP1.74
Rot. Bonds7

About (2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide

(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide (PubChem CID 8752123) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide
PubChem CID8752123
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OCC)cc1
InChIInChI=1S/C16H22N2O3/c1-4-17-16(20)12(3)18-15(19)11-8-13-6-9-14(10-7-13)21-5-2/h6-12H,4-5H2,1-3H3,(H,17,20)(H,18,19)/b11-8+/t12-/m1/s1
InChIKeyHKHYJFVAVQTIJG-JATZPVMKSA-N
XLogP1.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(4-ethoxyphenyl)prop-2-enoylamino]propanoate
CID 76872215
(2S)-2-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-N-ethylpropanamide
CID 8752395
3-(4-ethoxyphenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 79252983
(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanoic acid
CID 80750638
2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 46819695
(2S,3R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 104965044
(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide
CID 7993031
N-[(4-methoxyphenyl)methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18162307
3-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2-methylpropanoic acid
CID 76953514
(E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 82354337
(2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide
CID 8751665
methyl (2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9277862

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide (CID 8752123) is (2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(OCC)cc1.
What is the InChIKey of (2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide?
The InChIKey is HKHYJFVAVQTIJG-JATZPVMKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-17-16(20)12(3)18-15(19)11-8-13-6-9-14(10-7-13)21-5-2/h6-12H,4-5H2,1-3H3,(H,17,20)(H,18,19)/b11-8+/t12-/m1/s1.
What are the key properties of (2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide?
(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide has a molecular weight of 290.36 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 8752123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).