propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate

C23H29N3O5 — CID 9029476

IUPACpropan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
SMILESCCN(CC(=O)Nc1ccc(C(=O)OC(C)C)cc1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C23H29N3O5/c1-5-26(15-22(28)25-19-8-6-7-9-20(19)30-4)14-21(27)24-18-12-10-17(11-13-18)23(29)31-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyNAHRGOODGUMWPW-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.16
Rot. Bonds10

About propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate

propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate (PubChem CID 9029476) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
PubChem CID9029476
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Namepropan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
SMILESCCN(CC(=O)Nc1ccc(C(=O)OC(C)C)cc1)CC(=O)Nc1ccccc1OC
InChIInChI=1S/C23H29N3O5/c1-5-26(15-22(28)25-19-8-6-7-9-20(19)30-4)14-21(27)24-18-12-10-17(11-13-18)23(29)31-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)(H,25,28)
InChIKeyNAHRGOODGUMWPW-UHFFFAOYSA-N
XLogP3.16
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
N-(3-acetylphenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18078727
propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate
CID 8905018
N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029512
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 60674387
2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 46561149
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-(N-ethylanilino)-N-(2-methoxyphenyl)acetamide
CID 17052689
2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027158
methyl 3-[ethyl-[3-[4-[(2-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]amino]-2-methylpropanoate
CID 56527077
2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9030121

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate (CID 9029476) is propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate is CCN(CC(=O)Nc1ccc(C(=O)OC(C)C)cc1)CC(=O)Nc1ccccc1OC.
What is the InChIKey of propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate?
The InChIKey is NAHRGOODGUMWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-5-26(15-22(28)25-19-8-6-7-9-20(19)30-4)14-21(27)24-18-12-10-17(11-13-18)23(29)31-16(2)3/h6-13,16H,5,14-15H2,1-4H3,(H,24,27)(H,25,28).
What are the key properties of propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate?
propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate has a molecular weight of 427.50 g/mol, XLogP of 3.16, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 9029476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).