propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate

C13H17ClN2O3 — CID 43020953

IUPACpropyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
SMILESCCCOC(=O)CC(NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-2-7-19-12(17)8-11(16-13(15)18)9-3-5-10(14)6-4-9/h3-6,11H,2,7-8H2,1H3,(H3,15,16,18)
InChIKeyCQZHHDXFBBRHHH-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.39
Rot. Bonds6

About propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate

propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate (PubChem CID 43020953) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate.

Molecular Properties

Compound Namepropyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
PubChem CID43020953
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Namepropyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
SMILESCCCOC(=O)CC(NC(N)=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-2-7-19-12(17)8-11(16-13(15)18)9-3-5-10(14)6-4-9/h3-6,11H,2,7-8H2,1H3,(H3,15,16,18)
InChIKeyCQZHHDXFBBRHHH-UHFFFAOYSA-N
XLogP2.39
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)ethyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8606683
2-(4-ethoxyphenoxy)ethyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8607008
(4-chlorophenyl)methyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608684
(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid
CID 2424184
[(2R)-1-oxo-1-(propylamino)propan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8727553
[(2S)-1-oxo-1-(propylamino)propan-2-yl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8727558
3-(carbamoylamino)-3-(4-chlorophenyl)-N-propylpropanamide
CID 42971295
[2-oxo-2-(propylcarbamoylamino)ethyl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 7838517
benzyl (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8608690
[2-(tert-butylamino)-2-oxoethyl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8607324
[(1S)-1-phenylethyl] (3R)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 8606825
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680

Frequently Asked Questions

What is the IUPAC name of propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate?
The IUPAC name of propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate (CID 43020953) is propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate.
What is the SMILES notation for propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate?
The canonical SMILES for propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate is CCCOC(=O)CC(NC(N)=O)c1ccc(Cl)cc1.
What is the InChIKey of propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate?
The InChIKey is CQZHHDXFBBRHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-7-19-12(17)8-11(16-13(15)18)9-3-5-10(14)6-4-9/h3-6,11H,2,7-8H2,1H3,(H3,15,16,18).
What are the key properties of propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate?
propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate has a molecular weight of 284.74 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate is sourced from PubChem (CID 43020953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).