bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)

C36H52CrN4O10+3 — CID 159006610

IUPACbis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)O)CC(=O)O.CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)O)CC(=O)O.[Cr+3]
InChIInChI=1S/2C18H26N2O5.Cr/c2*1-11(2)13-6-5-7-14(12(3)4)18(13)19-15(21)8-20(9-16(22)23)10-17(24)25;/h2*5-7,11-12H,8-10H2,1-4H3,(H,19,21)(H,22,23)(H,24,25);/q;;+3
InChIKeyIYWPCDNYCHDRFC-UHFFFAOYSA-N
MW752.83 g/mol
LogP4.68
Rot. Bonds18

About bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)

bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+) (PubChem CID 159006610) has the molecular formula C36H52CrN4O10+3 and a molecular weight of 752.83 g/mol. Its IUPAC name is bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+).

Molecular Properties

Compound Namebis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
PubChem CID159006610
Molecular FormulaC36H52CrN4O10+3
Molecular Weight752.83 g/mol
Exact Mass752.31
IUPAC Namebis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)O)CC(=O)O.CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)O)CC(=O)O.[Cr+3]
InChIInChI=1S/2C18H26N2O5.Cr/c2*1-11(2)13-6-5-7-14(12(3)4)18(13)19-15(21)8-20(9-16(22)23)10-17(24)25;/h2*5-7,11-12H,8-10H2,1-4H3,(H,19,21)(H,22,23)(H,24,25);/q;;+3
InChIKeyIYWPCDNYCHDRFC-UHFFFAOYSA-N
XLogP4.68
TPSA213.88 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.83
LogP ≤ 54.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8541792
2-[bis(2-methoxyethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 33483708
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 40703481
2-[bis(furan-2-ylmethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46614486
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
2-[carboxymethyl-[2-(2,6-dichloroanilino)-2-oxoethyl]amino]acetic acid
CID 63646991
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488372
2-[acetyl(cyclohexyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113159574
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
2-[bis(2-methoxyethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 33483586
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 120872237

Frequently Asked Questions

What is the IUPAC name of bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)?
The IUPAC name of bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+) (CID 159006610) is bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+).
What is the SMILES notation for bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)?
The canonical SMILES for bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+) is CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)O)CC(=O)O.CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)O)CC(=O)O.[Cr+3].
What is the InChIKey of bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)?
The InChIKey is IYWPCDNYCHDRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H26N2O5.Cr/c2*1-11(2)13-6-5-7-14(12(3)4)18(13)19-15(21)8-20(9-16(22)23)10-17(24)25;/h2*5-7,11-12H,8-10H2,1-4H3,(H,19,21)(H,22,23)(H,24,25);/q;;+3.
What are the key properties of bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)?
bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+) has a molecular weight of 752.83 g/mol, XLogP of 4.68, 18 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+) is sourced from PubChem (CID 159006610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).