(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide

C16H20F2N2O3 — CID 7993031

IUPAC(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H20F2N2O3/c1-3-10-19-15(22)11(2)20-14(21)9-6-12-4-7-13(8-5-12)23-16(17)18/h4-9,11,16H,3,10H2,1-2H3,(H,19,22)(H,20,21)/b9-6+/t11-/m0/s1
InChIKeySPOCFFTZFVXEKV-LAHYYIKRSA-N
MW326.34 g/mol
LogP2.33
Rot. Bonds8

About (2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide

(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide (PubChem CID 7993031) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is (2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide
PubChem CID7993031
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC Name(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H20F2N2O3/c1-3-10-19-15(22)11(2)20-14(21)9-6-12-4-7-13(8-5-12)23-16(17)18/h4-9,11,16H,3,10H2,1-2H3,(H,19,22)(H,20,21)/b9-6+/t11-/m0/s1
InChIKeySPOCFFTZFVXEKV-LAHYYIKRSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.33
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

2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 46819695
(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide
CID 8752123
3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 73422099
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 46819652
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 7958328
(2S)-2-[[(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]amino]-N-ethylpropanamide
CID 8752395
N-[(4-methoxyphenyl)methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18162307
N-(2-hydroxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110877634
(E)-3-[4-(difluoromethoxy)phenyl]-N-(2-ethylphenyl)prop-2-enamide
CID 7923768
(E)-3-[4-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 26710370
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanoate
CID 55326576
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7916746

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide?
The IUPAC name of (2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide (CID 7993031) is (2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide.
What is the SMILES notation for (2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide?
The canonical SMILES for (2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide is CCCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(OC(F)F)cc1.
What is the InChIKey of (2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide?
The InChIKey is SPOCFFTZFVXEKV-LAHYYIKRSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-3-10-19-15(22)11(2)20-14(21)9-6-12-4-7-13(8-5-12)23-16(17)18/h4-9,11,16H,3,10H2,1-2H3,(H,19,22)(H,20,21)/b9-6+/t11-/m0/s1.
What are the key properties of (2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide?
(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide has a molecular weight of 326.34 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide is sourced from PubChem (CID 7993031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).