ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate

C21H32N2O5 — CID 49232954

IUPACethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate
SMILESCCOC(=O)CCN(CC(=O)Nc1cc(OCC)ccc1OCC)CC1CC1
InChIInChI=1S/C21H32N2O5/c1-4-26-17-9-10-19(27-5-2)18(13-17)22-20(24)15-23(14-16-7-8-16)12-11-21(25)28-6-3/h9-10,13,16H,4-8,11-12,14-15H2,1-3H3,(H,22,24)
InChIKeyZUDZKNZXBJCOLS-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.09
Rot. Bonds13

About ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate

ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate (PubChem CID 49232954) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate
PubChem CID49232954
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Nameethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate
SMILESCCOC(=O)CCN(CC(=O)Nc1cc(OCC)ccc1OCC)CC1CC1
InChIInChI=1S/C21H32N2O5/c1-4-26-17-9-10-19(27-5-2)18(13-17)22-20(24)15-23(14-16-7-8-16)12-11-21(25)28-6-3/h9-10,13,16H,4-8,11-12,14-15H2,1-3H3,(H,22,24)
InChIKeyZUDZKNZXBJCOLS-UHFFFAOYSA-N
XLogP3.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide
CID 43835604
ethyl 3-[[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-(cyclopropylmethyl)amino]propanoate
CID 49149265
4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
ethyl 3-[cyclopropylmethyl-[2-[4-(2,6-dimethylmorpholin-4-yl)anilino]-2-oxoethyl]amino]propanoate
CID 49232734
3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119686949
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989
N-(2,5-diethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 60703669
2-[[2-(2,5-diethoxyanilino)-2-oxoethyl]-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24566060
N-(5-chloro-2-ethoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 54862706
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505
2-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-(2,5-diethoxyphenyl)acetamide
CID 56508986

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate?
The IUPAC name of ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate (CID 49232954) is ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate?
The canonical SMILES for ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate is CCOC(=O)CCN(CC(=O)Nc1cc(OCC)ccc1OCC)CC1CC1.
What is the InChIKey of ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate?
The InChIKey is ZUDZKNZXBJCOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-4-26-17-9-10-19(27-5-2)18(13-17)22-20(24)15-23(14-16-7-8-16)12-11-21(25)28-6-3/h9-10,13,16H,4-8,11-12,14-15H2,1-3H3,(H,22,24).
What are the key properties of ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate?
ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate has a molecular weight of 392.50 g/mol, XLogP of 3.09, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[cyclopropylmethyl-[2-(2,5-diethoxyanilino)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 49232954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).