propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate

C19H21NO4 — CID 46637717

IUPACpropan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)/C=C/c1ccco1)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-14(2)24-19(22)13-17(15-7-4-3-5-8-15)20-18(21)11-10-16-9-6-12-23-16/h3-12,14,17H,13H2,1-2H3,(H,20,21)/b11-10+
InChIKeyKYKBVEIGBLVYJN-ZHACJKMWSA-N
MW327.38 g/mol
LogP3.49
Rot. Bonds7

About propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate

propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate (PubChem CID 46637717) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
PubChem CID46637717
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namepropan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)/C=C/c1ccco1)c1ccccc1
InChIInChI=1S/C19H21NO4/c1-14(2)24-19(22)13-17(15-7-4-3-5-8-15)20-18(21)11-10-16-9-6-12-23-16/h3-12,14,17H,13H2,1-2H3,(H,20,21)/b11-10+
InChIKeyKYKBVEIGBLVYJN-ZHACJKMWSA-N
XLogP3.49
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 3-[[(E)-3-(5-iodofuran-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate
CID 134015908
(E)-3-(furan-2-yl)-N-(1-phenylbutyl)prop-2-enamide
CID 16626046
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414
(E)-3-(furan-2-yl)-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]prop-2-enamide
CID 124760047
O-propan-2-yl N-[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioate
CID 102351235
propan-2-yl 3-(4-methoxyphenyl)-3-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]propanoate
CID 24516727
(E)-3-(furan-2-yl)-N-[2-phenyl-1-(4-phenylphenyl)ethyl]prop-2-enamide
CID 6057021
(E)-3-(furan-2-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148362
3-(furan-2-yl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 75619467
methyl 2-[3-(furan-2-yl)prop-2-enoylamino]propanoate
CID 60637985
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
(E)-3-(furan-2-yl)-N-[3-(1-phenylethoxy)propyl]prop-2-enamide
CID 46557135

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate (CID 46637717) is propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)/C=C/c1ccco1)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate?
The InChIKey is KYKBVEIGBLVYJN-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14(2)24-19(22)13-17(15-7-4-3-5-8-15)20-18(21)11-10-16-9-6-12-23-16/h3-12,14,17H,13H2,1-2H3,(H,20,21)/b11-10+.
What are the key properties of propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate?
propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate has a molecular weight of 327.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 46637717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).