ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate

C22H28N2O6 — CID 70060005

IUPACethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate
SMILESCCOC(=O)COCCCOc1ccccc1N(C)C(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C22H28N2O6/c1-4-29-21(25)15-28-12-7-13-30-19-9-6-5-8-18(19)24(2)22(26)16-10-11-17(23)20(14-16)27-3/h5-6,8-11,14H,4,7,12-13,15,23H2,1-3H3
InChIKeySMXYRVZSNJNZSF-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.90
Rot. Bonds11

About ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate

ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate (PubChem CID 70060005) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate
PubChem CID70060005
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Nameethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate
SMILESCCOC(=O)COCCCOc1ccccc1N(C)C(=O)c1ccc(N)c(OC)c1
InChIInChI=1S/C22H28N2O6/c1-4-29-21(25)15-28-12-7-13-30-19-9-6-5-8-18(19)24(2)22(26)16-10-11-17(23)20(14-16)27-3/h5-6,8-11,14H,4,7,12-13,15,23H2,1-3H3
InChIKeySMXYRVZSNJNZSF-UHFFFAOYSA-N
XLogP2.90
TPSA100.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-N-methyl-4-pentoxybenzamide
CID 52701059
4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide
CID 22010568
ethyl 6-[2-[[4-[(2-methoxybenzoyl)amino]benzoyl]-methylamino]-5-methylphenoxy]hexanoate
CID 18791264
4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide
CID 103400871
4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
CID 104782930
4-[[2-[(4-amino-3-methoxybenzoyl)-methylamino]-5-methylphenoxy]methyl]benzoic acid
CID 23226388
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
methyl 4-amino-3-(3-ethoxypropoxy)benzoate
CID 65180377
ethyl 4-[2-[methyl-[4-[(2-phenylmethoxybenzoyl)amino]benzoyl]amino]phenoxy]butanoate
CID 139804386
3,5-dibromo-N-(2-methoxyphenyl)-N-methylbenzamide
CID 103908080
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate?
The IUPAC name of ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate (CID 70060005) is ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate?
The canonical SMILES for ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate is CCOC(=O)COCCCOc1ccccc1N(C)C(=O)c1ccc(N)c(OC)c1.
What is the InChIKey of ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate?
The InChIKey is SMXYRVZSNJNZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-4-29-21(25)15-28-12-7-13-30-19-9-6-5-8-18(19)24(2)22(26)16-10-11-17(23)20(14-16)27-3/h5-6,8-11,14H,4,7,12-13,15,23H2,1-3H3.
What are the key properties of ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate?
ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate has a molecular weight of 416.47 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-[(4-amino-3-methoxybenzoyl)-methylamino]phenoxy]propoxy]acetate is sourced from PubChem (CID 70060005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).