(2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide

C19H28N2O4 — CID 8751665

IUPAC(2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-6-20-19(23)14(4)21-18(22)10-8-15-7-9-16(17(11-15)24-5)25-12-13(2)3/h7-11,13-14H,6,12H2,1-5H3,(H,20,23)(H,21,22)/b10-8+/t14-/m0/s1
InChIKeyQMSVEXBWRTUYRX-PLWJUESGSA-N
MW348.44 g/mol
LogP2.38
Rot. Bonds9

About (2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide

(2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide (PubChem CID 8751665) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide
PubChem CID8751665
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OCC(C)C)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-6-20-19(23)14(4)21-18(22)10-8-15-7-9-16(17(11-15)24-5)25-12-13(2)3/h7-11,13-14H,6,12H2,1-5H3,(H,20,23)(H,21,22)/b10-8+/t14-/m0/s1
InChIKeyQMSVEXBWRTUYRX-PLWJUESGSA-N
XLogP2.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-propan-2-ylprop-2-enamide
CID 73422617
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 46819652
(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315161
(2S)-2-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-N-ethylpropanamide
CID 8752395
(E)-N-benzyl-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 8713243
(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide
CID 8751619
(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]prop-2-enamide
CID 86948716
N-butan-2-yl-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 2789629
(E)-N-[2-(dimethylamino)-1-phenylethyl]-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 24504297
(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide
CID 8752123
(E)-N-(2,4-dimethoxyphenyl)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 18272734
methyl 4-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]benzoate
CID 18277917

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide (CID 8751665) is (2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide is CCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OCC(C)C)c(OC)c1.
What is the InChIKey of (2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide?
The InChIKey is QMSVEXBWRTUYRX-PLWJUESGSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-6-20-19(23)14(4)21-18(22)10-8-15-7-9-16(17(11-15)24-5)25-12-13(2)3/h7-11,13-14H,6,12H2,1-5H3,(H,20,23)(H,21,22)/b10-8+/t14-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide?
(2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide has a molecular weight of 348.44 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[[(E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoyl]amino]propanamide is sourced from PubChem (CID 8751665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).