2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid

C25H35N3O7 — CID 67702801

IUPAC2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid
SMILESCOCOc1ccccc1CN(CCN(C)C(=O)N(C)Cc1ccccc1OCOC)CC(=O)O
InChIInChI=1S/C25H35N3O7/c1-26(25(31)27(2)15-20-9-5-7-11-22(20)34-18-32-3)13-14-28(17-24(29)30)16-21-10-6-8-12-23(21)35-19-33-4/h5-12H,13-19H2,1-4H3,(H,29,30)
InChIKeyYLLGVMMSWZTGLO-UHFFFAOYSA-N
MW489.57 g/mol
LogP2.72
Rot. Bonds15

About 2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid

2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid (PubChem CID 67702801) has the molecular formula C25H35N3O7 and a molecular weight of 489.57 g/mol. Its IUPAC name is 2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid
PubChem CID67702801
Molecular FormulaC25H35N3O7
Molecular Weight489.57 g/mol
Exact Mass489.25
IUPAC Name2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid
SMILESCOCOc1ccccc1CN(CCN(C)C(=O)N(C)Cc1ccccc1OCOC)CC(=O)O
InChIInChI=1S/C25H35N3O7/c1-26(25(31)27(2)15-20-9-5-7-11-22(20)34-18-32-3)13-14-28(17-24(29)30)16-21-10-6-8-12-23(21)35-19-33-4/h5-12H,13-19H2,1-4H3,(H,29,30)
InChIKeyYLLGVMMSWZTGLO-UHFFFAOYSA-N
XLogP2.72
TPSA101.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[2-(1-acetyloxy-2-methylpropoxy)-2-oxoethyl]-[[2-(methoxymethoxy)phenyl]methyl]amino]ethyl-[[2-(methoxymethoxy)phenyl]methyl]amino]acetic acid
CID 67702806
2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39366056
1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea
CID 113233571
2-[2-(dimethylamino)ethyl-[(2-hydroxy-3-methoxyphenyl)methyl]amino]acetic acid
CID 107426429
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-[(2-methoxyphenyl)methyl-prop-2-ynylamino]acetic acid
CID 79274704
2-[(2-ethylphenyl)methyl-propylamino]acetic acid
CID 65064687
2-[carboxymethyl-[[2-(difluoromethoxy)phenyl]methyl]amino]acetic acid
CID 63644790
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid (CID 67702801) is 2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid is COCOc1ccccc1CN(CCN(C)C(=O)N(C)Cc1ccccc1OCOC)CC(=O)O.
What is the InChIKey of 2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid?
The InChIKey is YLLGVMMSWZTGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O7/c1-26(25(31)27(2)15-20-9-5-7-11-22(20)34-18-32-3)13-14-28(17-24(29)30)16-21-10-6-8-12-23(21)35-19-33-4/h5-12H,13-19H2,1-4H3,(H,29,30).
What are the key properties of 2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid?
2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid has a molecular weight of 489.57 g/mol, XLogP of 2.72, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid is sourced from PubChem (CID 67702801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).