methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate

C21H24N2O5 — CID 113061971

IUPACmethyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate
SMILESCOC(=O)c1cccc(N(CCNC(=O)Cc2ccc(OC)cc2)C(C)=O)c1
InChIInChI=1S/C21H24N2O5/c1-15(24)23(18-6-4-5-17(14-18)21(26)28-3)12-11-22-20(25)13-16-7-9-19(27-2)10-8-16/h4-10,14H,11-13H2,1-3H3,(H,22,25)
InChIKeyAONJGAHHYGPNCR-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.19
Rot. Bonds8

About methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate

methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate (PubChem CID 113061971) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate
PubChem CID113061971
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namemethyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate
SMILESCOC(=O)c1cccc(N(CCNC(=O)Cc2ccc(OC)cc2)C(C)=O)c1
InChIInChI=1S/C21H24N2O5/c1-15(24)23(18-6-4-5-17(14-18)21(26)28-3)12-11-22-20(25)13-16-7-9-19(27-2)10-8-16/h4-10,14H,11-13H2,1-3H3,(H,22,25)
InChIKeyAONJGAHHYGPNCR-UHFFFAOYSA-N
XLogP2.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate with MolForge

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Related Compounds

N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113061572
methyl 3-[acetyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176237
methyl 3-[acetyl-[2-(methoxycarbonylamino)ethyl]amino]benzoate
CID 113061991
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113059999
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
methyl 3-[acetyl-[2-[(4-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061960
methyl 3-[acetyl-[2-[(2-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113061955
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
methyl 3-[acetyl-[2-[(2-fluorobenzoyl)amino]ethyl]amino]benzoate
CID 113061958
methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113062034
N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061592

Frequently Asked Questions

What is the IUPAC name of methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate?
The IUPAC name of methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate (CID 113061971) is methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate.
What is the SMILES notation for methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate?
The canonical SMILES for methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate is COC(=O)c1cccc(N(CCNC(=O)Cc2ccc(OC)cc2)C(C)=O)c1.
What is the InChIKey of methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate?
The InChIKey is AONJGAHHYGPNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-15(24)23(18-6-4-5-17(14-18)21(26)28-3)12-11-22-20(25)13-16-7-9-19(27-2)10-8-16/h4-10,14H,11-13H2,1-3H3,(H,22,25).
What are the key properties of methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate?
methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate has a molecular weight of 384.43 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate is sourced from PubChem (CID 113061971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).