propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate

C19H27N3O6 — CID 8905018

IUPACpropan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C19H27N3O6/c1-5-22(12-17(24)21-19(26)27-6-2)11-16(23)20-15-9-7-14(8-10-15)18(25)28-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,23)(H,21,24,26)
InChIKeyCQLOVJXWAHAMPN-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.78
Rot. Bonds9

About propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate

propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate (PubChem CID 8905018) has the molecular formula C19H27N3O6 and a molecular weight of 393.44 g/mol. Its IUPAC name is propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate
PubChem CID8905018
Molecular FormulaC19H27N3O6
Molecular Weight393.44 g/mol
Exact Mass393.19
IUPAC Namepropan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate
SMILESCCOC(=O)NC(=O)CN(CC)CC(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C19H27N3O6/c1-5-22(12-17(24)21-19(26)27-6-2)11-16(23)20-15-9-7-14(8-10-15)18(25)28-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,23)(H,21,24,26)
InChIKeyCQLOVJXWAHAMPN-UHFFFAOYSA-N
XLogP1.78
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905278
propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
CID 9029476
methyl 3-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]-4-methylbenzoate
CID 8799678
propan-2-yl 4-[[2-(2-ethoxy-2-oxoethyl)sulfanylacetyl]amino]benzoate
CID 8604556
propan-2-yl 4-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 9166836
ethyl N-[2-[ethyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]acetyl]carbamate
CID 8905335
ethyl 4-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]piperazine-1-carboxylate
CID 8932058
ethyl N-[2-[[2-(2-ethoxyanilino)-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905214
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
2-[[2-(4-carbamoylanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61012683
ethyl N-[2-[[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792486
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate?
The IUPAC name of propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate (CID 8905018) is propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate?
The canonical SMILES for propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate is CCOC(=O)NC(=O)CN(CC)CC(=O)Nc1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate?
The InChIKey is CQLOVJXWAHAMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O6/c1-5-22(12-17(24)21-19(26)27-6-2)11-16(23)20-15-9-7-14(8-10-15)18(25)28-13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,23)(H,21,24,26).
What are the key properties of propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate?
propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate has a molecular weight of 393.44 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-[[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylamino]acetyl]amino]benzoate is sourced from PubChem (CID 8905018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).