ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate

C22H27NO4 — CID 43910678

IUPACethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
SMILESCCCOc1ccc(C(=O)N(CCC(=O)OCC)Cc2ccccc2)cc1
InChIInChI=1S/C22H27NO4/c1-3-16-27-20-12-10-19(11-13-20)22(25)23(15-14-21(24)26-4-2)17-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3
InChIKeyKTDBONGMEDWXSH-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.07
Rot. Bonds10

About ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate

ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate (PubChem CID 43910678) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
PubChem CID43910678
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Nameethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
SMILESCCCOc1ccc(C(=O)N(CCC(=O)OCC)Cc2ccccc2)cc1
InChIInChI=1S/C22H27NO4/c1-3-16-27-20-12-10-19(11-13-20)22(25)23(15-14-21(24)26-4-2)17-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3
InChIKeyKTDBONGMEDWXSH-UHFFFAOYSA-N
XLogP4.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619
ethyl 3-[[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 66912851
ethyl 3-[benzyl-[(4-pentoxybenzoyl)carbamothioyl]amino]propanoate
CID 43910832
ethyl 3-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 66912964
ethyl 3-[benzyl-[(4-hexoxybenzoyl)carbamothioyl]amino]propanoate
CID 43910830
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 43910600
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
ethyl 3-[benzyl-(5-bromo-2-butoxybenzoyl)amino]propanoate
CID 43910716
N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 5126774
ethyl 3-[benzyl(thiophene-2-carbonyl)amino]propanoate
CID 43910590
N-benzyl-N-(2-cyanoethyl)-4-pentoxybenzamide
CID 43911706
ethyl 3-[3-(4-benzylphenoxy)propyl-methylamino]propanoate
CID 11089571

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate?
The IUPAC name of ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate (CID 43910678) is ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate?
The canonical SMILES for ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate is CCCOc1ccc(C(=O)N(CCC(=O)OCC)Cc2ccccc2)cc1.
What is the InChIKey of ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate?
The InChIKey is KTDBONGMEDWXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-3-16-27-20-12-10-19(11-13-20)22(25)23(15-14-21(24)26-4-2)17-18-8-6-5-7-9-18/h5-13H,3-4,14-17H2,1-2H3.
What are the key properties of ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate?
ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate has a molecular weight of 369.46 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate is sourced from PubChem (CID 43910678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).