4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid

C17H24ClN3O5 — CID 122093166

IUPAC4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCOc1c(NC(=O)NC(C)(C)CCC(=O)O)cc(Cl)cc1C(=O)N(C)C
InChIInChI=1S/C17H24ClN3O5/c1-17(2,7-6-13(22)23)20-16(25)19-12-9-10(18)8-11(14(12)26-5)15(24)21(3)4/h8-9H,6-7H2,1-5H3,(H,22,23)(H2,19,20,25)
InChIKeyXEYALSUASZULIP-UHFFFAOYSA-N
MW385.85 g/mol
LogP2.82
Rot. Bonds7

About 4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid

4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid (PubChem CID 122093166) has the molecular formula C17H24ClN3O5 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid
PubChem CID122093166
Molecular FormulaC17H24ClN3O5
Molecular Weight385.85 g/mol
Exact Mass385.14
IUPAC Name4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid
SMILESCOc1c(NC(=O)NC(C)(C)CCC(=O)O)cc(Cl)cc1C(=O)N(C)C
InChIInChI=1S/C17H24ClN3O5/c1-17(2,7-6-13(22)23)20-16(25)19-12-9-10(18)8-11(14(12)26-5)15(24)21(3)4/h8-9H,6-7H2,1-5H3,(H,22,23)(H2,19,20,25)
InChIKeyXEYALSUASZULIP-UHFFFAOYSA-N
XLogP2.82
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid with MolForge

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Related Compounds

4-[(3-carbamoyl-5-chloro-2-methoxyphenyl)carbamoylamino]butanoic acid
CID 122093155
4-[(2-fluoro-4,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122079676
4-[(4,5-dichloro-2-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 122092588
4-[(2,5-difluoro-4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122086650
4-[[5-chloro-2-(1-methoxypropan-2-yloxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122091101
4-[(5-fluoro-2-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122088492
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
5-chloro-2-methoxy-N,N-dimethyl-3-[(3-methyl-1,2-thiazol-4-yl)methylamino]benzamide
CID 146104578
5-chloro-2-methoxy-N,N-dimethyl-3-[2-(methylamino)ethylsulfamoyl]benzamide
CID 120894029
3-(2-aminoethylsulfamoyl)-5-chloro-2-methoxy-N,N-dimethylbenzamide;hydrochloride
CID 120893948
4-[[2-(dimethylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122074518

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid (CID 122093166) is 4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid is COc1c(NC(=O)NC(C)(C)CCC(=O)O)cc(Cl)cc1C(=O)N(C)C.
What is the InChIKey of 4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid?
The InChIKey is XEYALSUASZULIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O5/c1-17(2,7-6-13(22)23)20-16(25)19-12-9-10(18)8-11(14(12)26-5)15(24)21(3)4/h8-9H,6-7H2,1-5H3,(H,22,23)(H2,19,20,25).
What are the key properties of 4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid?
4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid has a molecular weight of 385.85 g/mol, XLogP of 2.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-3-(dimethylcarbamoyl)-2-methoxyphenyl]carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122093166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).