2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene

C16H24Cl2N2O5 — CID 143745404

IUPAC2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene
SMILESCOCCN(CCOC)C(=O)NCC(=O)O.Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H18N2O5.C7H6Cl2/c1-15-5-3-11(4-6-16-2)9(14)10-7-8(12)13;1-5-2-3-6(8)4-7(5)9/h3-7H2,1-2H3,(H,10,14)(H,12,13);2-4H,1H3
InChIKeyAEGRHGAOHXOCPA-UHFFFAOYSA-N
MW395.28 g/mol
LogP2.68
Rot. Bonds8

About 2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene

2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene (PubChem CID 143745404) has the molecular formula C16H24Cl2N2O5 and a molecular weight of 395.28 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene
PubChem CID143745404
Molecular FormulaC16H24Cl2N2O5
Molecular Weight395.28 g/mol
Exact Mass394.11
IUPAC Name2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene
SMILESCOCCN(CCOC)C(=O)NCC(=O)O.Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H18N2O5.C7H6Cl2/c1-15-5-3-11(4-6-16-2)9(14)10-7-8(12)13;1-5-2-3-6(8)4-7(5)9/h3-7H2,1-2H3,(H,10,14)(H,12,13);2-4H,1H3
InChIKeyAEGRHGAOHXOCPA-UHFFFAOYSA-N
XLogP2.68
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea
CID 108891943
3-(5-chloro-2-methylphenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324738
4-chloro-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]benzoic acid
CID 61447781
2-[[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189802
4-[[[(3-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)carbamoyl]amino]methyl]benzoic acid
CID 122019966
2-[(5-chloro-2-cyanophenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272026
N-[2-[acetyl(2-methoxyethyl)amino]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 113053174
3-(5-chloro-2-fluorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 111431211
3-(3-chloro-4-methylphenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902357
2-[(4-fluoro-3-methylphenyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271553
2-[(3,6-dichloro-1-benzothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189587
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 115608745

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene?
The IUPAC name of 2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene (CID 143745404) is 2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene.
What is the SMILES notation for 2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene?
The canonical SMILES for 2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene is COCCN(CCOC)C(=O)NCC(=O)O.Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene?
The InChIKey is AEGRHGAOHXOCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5.C7H6Cl2/c1-15-5-3-11(4-6-16-2)9(14)10-7-8(12)13;1-5-2-3-6(8)4-7(5)9/h3-7H2,1-2H3,(H,10,14)(H,12,13);2-4H,1H3.
What are the key properties of 2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene?
2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene has a molecular weight of 395.28 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)carbamoylamino]acetic acid;2,4-dichloro-1-methylbenzene is sourced from PubChem (CID 143745404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).