5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid

C15H21ClN2O3 — CID 82847209

IUPAC5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-11(3-2-4-14(19)20)18-15(21)17-10-9-12-5-7-13(16)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyUTUIHXWYXWOZGN-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.83
Rot. Bonds8

About 5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid

5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid (PubChem CID 82847209) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid
PubChem CID82847209
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-11(3-2-4-14(19)20)18-15(21)17-10-9-12-5-7-13(16)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyUTUIHXWYXWOZGN-UHFFFAOYSA-N
XLogP2.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[2-(4-chlorophenyl)acetyl]amino]hexanoic acid
CID 82855203
4-[2-(4-aminophenyl)ethylcarbamoylamino]pentanoic acid
CID 76784986
2-[2-(4-chlorophenyl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 61380462
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
5-[(4-fluorophenyl)methylcarbamoylamino]hexanoic acid
CID 82846795
4-[2-(4-chlorophenyl)ethylamino]butanoic acid
CID 61380549
(2S)-2-[2-(4-chlorophenyl)ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 61381103
5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid
CID 82849089
3-[(4-chlorophenyl)methylcarbamoylamino]butanoic acid
CID 61192554
4-[1-(4-chlorophenoxy)ethylcarbamoylamino]butanoic acid
CID 108879787
N-[2-(4-chlorophenyl)ethyl]-3-(3-methylbutylamino)propanamide
CID 109027901
1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea
CID 108879758

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid?
The IUPAC name of 5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid (CID 82847209) is 5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid is CC(CCCC(=O)O)NC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid?
The InChIKey is UTUIHXWYXWOZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11(3-2-4-14(19)20)18-15(21)17-10-9-12-5-7-13(16)8-6-12/h5-8,11H,2-4,9-10H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid?
5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid has a molecular weight of 312.80 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 82847209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).