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

C20H22N2O5 — CID 113062034

IUPACmethyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(CCNC(=O)c2ccc(OC)cc2)C(C)=O)cc1
InChIInChI=1S/C20H22N2O5/c1-14(23)22(17-8-4-16(5-9-17)20(25)27-3)13-12-21-19(24)15-6-10-18(26-2)11-7-15/h4-11H,12-13H2,1-3H3,(H,21,24)
InChIKeyVQNCYRRUDDUTEE-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.26
Rot. Bonds7

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

methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate (PubChem CID 113062034) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
PubChem CID113062034
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namemethyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
SMILESCOC(=O)c1ccc(N(CCNC(=O)c2ccc(OC)cc2)C(C)=O)cc1
InChIInChI=1S/C20H22N2O5/c1-14(23)22(17-8-4-16(5-9-17)20(25)27-3)13-12-21-19(24)15-6-10-18(26-2)11-7-15/h4-11H,12-13H2,1-3H3,(H,21,24)
InChIKeyVQNCYRRUDDUTEE-UHFFFAOYSA-N
XLogP2.26
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(N-acetyl-4-bromoanilino)ethyl]-4-methoxybenzamide
CID 113060353
methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113062028
N-[2-(N-acetyl-4-methoxyanilino)ethyl]acetamide
CID 91715659
methyl 4-[acetyl-[2-(butanoylamino)ethyl]amino]benzoate
CID 113062014
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113062185
methyl 3-[acetyl-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]amino]benzoate
CID 113061971
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113061087
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
N-[2-(N,4-diacetylanilino)ethyl]-4-fluorobenzamide
CID 113061648
N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide
CID 113051986
ethyl 2-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 113064049

Frequently Asked Questions

What is the IUPAC name of methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate?
The IUPAC name of methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate (CID 113062034) is methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate.
What is the SMILES notation for methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate?
The canonical SMILES for methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate is COC(=O)c1ccc(N(CCNC(=O)c2ccc(OC)cc2)C(C)=O)cc1.
What is the InChIKey of methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate?
The InChIKey is VQNCYRRUDDUTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14(23)22(17-8-4-16(5-9-17)20(25)27-3)13-12-21-19(24)15-6-10-18(26-2)11-7-15/h4-11H,12-13H2,1-3H3,(H,21,24).
What are the key properties of methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate?
methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[acetyl-[2-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate is sourced from PubChem (CID 113062034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).