propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate

C19H22ClNO4 — CID 18274407

IUPACpropan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
SMILESCc1cc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2Cl)c(C)o1
InChIInChI=1S/C19H22ClNO4/c1-11(2)24-18(22)10-17(14-7-5-6-8-16(14)20)21-19(23)15-9-12(3)25-13(15)4/h5-9,11,17H,10H2,1-4H3,(H,21,23)
InChIKeyHPOVXUKQWMQBKG-UHFFFAOYSA-N
MW363.84 g/mol
LogP4.36
Rot. Bonds6

About propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate

propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate (PubChem CID 18274407) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
PubChem CID18274407
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Namepropan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate
SMILESCc1cc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2Cl)c(C)o1
InChIInChI=1S/C19H22ClNO4/c1-11(2)24-18(22)10-17(14-7-5-6-8-16(14)20)21-19(23)15-9-12(3)25-13(15)4/h5-9,11,17H,10H2,1-4H3,(H,21,23)
InChIKeyHPOVXUKQWMQBKG-UHFFFAOYSA-N
XLogP4.36
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 51926264
(2R)-2-(2-chlorophenyl)-2-[(2,5-dimethylfuran-3-carbonyl)amino]acetic acid
CID 107314250
propan-2-yl 3-(3-benzamidobutanoylamino)-3-(2-chlorophenyl)propanoate
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propan-2-yl 3-[(5-acetamidothiophene-2-carbonyl)amino]-3-(2-chlorophenyl)propanoate
CID 24575025
ethyl (3R)-3-(2-chlorophenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 7045199
propan-2-yl (3S)-3-(2-chlorophenyl)-3-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoate
CID 30207887
propan-2-yl 3-(2-chlorophenyl)-3-[[3-(ethylsulfonylamino)benzoyl]amino]propanoate
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propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate
CID 24603772
propan-2-yl 3-[(2,5-dichlorobenzoyl)amino]-3-(2-nitrophenyl)propanoate
CID 46637762
ethyl (3S)-3-(2-chlorophenyl)-3-[(2-fluorobenzoyl)amino]propanoate
CID 7310515
propan-2-yl 3-[(3-acetamido-3-phenylpropanoyl)amino]-3-(2-chlorophenyl)propanoate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate?
The IUPAC name of propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate (CID 18274407) is propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate?
The canonical SMILES for propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate is Cc1cc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2Cl)c(C)o1.
What is the InChIKey of propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate?
The InChIKey is HPOVXUKQWMQBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-11(2)24-18(22)10-17(14-7-5-6-8-16(14)20)21-19(23)15-9-12(3)25-13(15)4/h5-9,11,17H,10H2,1-4H3,(H,21,23).
What are the key properties of propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate?
propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate has a molecular weight of 363.84 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(2-chlorophenyl)-3-[(2,5-dimethylfuran-3-carbonyl)amino]propanoate is sourced from PubChem (CID 18274407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).