ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate

C14H19ClN2O3 — CID 108892013

IUPACethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-2-20-13(18)8-10-17-14(19)16-9-7-11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3,(H2,16,17,19)
InChIKeyIZDPINJHNWIUIR-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.13
Rot. Bonds7

About ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate

ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate (PubChem CID 108892013) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate
PubChem CID108892013
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Nameethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-2-20-13(18)8-10-17-14(19)16-9-7-11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3,(H2,16,17,19)
InChIKeyIZDPINJHNWIUIR-UHFFFAOYSA-N
XLogP2.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 50851083
ethyl 4-(4-chlorophenyl)butanoate
CID 14921100
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CID 108891954
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
ethyl 4-[[[2-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]butanoate;hydroiodide
CID 111197049
1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877443
ethyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
CID 47437704
ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate
CID 10334217
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
tert-butyl N-[2-[2-(4-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864604
N-[2-(4-chlorophenyl)ethyl]butanamide
CID 60628099
ethyl 3-[2-(2-bromophenyl)ethylcarbamoylamino]propanoate
CID 108900641

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate?
The IUPAC name of ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate (CID 108892013) is ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate is CCOC(=O)CCNC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate?
The InChIKey is IZDPINJHNWIUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-2-20-13(18)8-10-17-14(19)16-9-7-11-3-5-12(15)6-4-11/h3-6H,2,7-10H2,1H3,(H2,16,17,19).
What are the key properties of ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate?
ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate has a molecular weight of 298.77 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(4-chlorophenyl)ethylcarbamoylamino]propanoate is sourced from PubChem (CID 108892013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).