[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C18H22Cl2N2O4 — CID 7843883

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCC1CCCCC1
InChIInChI=1S/C18H22Cl2N2O4/c19-13-6-7-14(15(20)8-13)18(25)22-10-17(24)26-11-16(23)21-9-12-4-2-1-3-5-12/h6-8,12H,1-5,9-11H2,(H,21,23)(H,22,25)
InChIKeyAHGHTLPNGXQUMD-UHFFFAOYSA-N
MW401.29 g/mol
LogP2.96
Rot. Bonds7

About [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 7843883) has the molecular formula C18H22Cl2N2O4 and a molecular weight of 401.29 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID7843883
Molecular FormulaC18H22Cl2N2O4
Molecular Weight401.29 g/mol
Exact Mass400.10
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCC1CCCCC1
InChIInChI=1S/C18H22Cl2N2O4/c19-13-6-7-14(15(20)8-13)18(25)22-10-17(24)26-11-16(23)21-9-12-4-2-1-3-5-12/h6-8,12H,1-5,9-11H2,(H,21,23)(H,22,25)
InChIKeyAHGHTLPNGXQUMD-UHFFFAOYSA-N
XLogP2.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843884
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 55324669
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843801
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 16533895
[2-(1-adamantyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 4299627
[2-oxo-2-(4-phenylanilino)ethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 35945777
2,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736396
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270751
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(3,4-dichlorophenyl)sulfonylamino]acetate
CID 18277091
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 7843883) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is AHGHTLPNGXQUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O4/c19-13-6-7-14(15(20)8-13)18(25)22-10-17(24)26-11-16(23)21-9-12-4-2-1-3-5-12/h6-8,12H,1-5,9-11H2,(H,21,23)(H,22,25).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 401.29 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 7843883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).