ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate

C22H27N3O4 — CID 74840270

IUPACethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1ccc(C2CC(c3cccc(OC)c3)NN2)cc1
InChIInChI=1S/C22H27N3O4/c1-3-29-21(26)11-12-23-22(27)16-9-7-15(8-10-16)19-14-20(25-24-19)17-5-4-6-18(13-17)28-2/h4-10,13,19-20,24-25H,3,11-12,14H2,1-2H3,(H,23,27)
InChIKeyWAPQXPCXZYQXLG-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.66
Rot. Bonds8

About ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate

ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate (PubChem CID 74840270) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate
PubChem CID74840270
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Nameethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1ccc(C2CC(c3cccc(OC)c3)NN2)cc1
InChIInChI=1S/C22H27N3O4/c1-3-29-21(26)11-12-23-22(27)16-9-7-15(8-10-16)19-14-20(25-24-19)17-5-4-6-18(13-17)28-2/h4-10,13,19-20,24-25H,3,11-12,14H2,1-2H3,(H,23,27)
InChIKeyWAPQXPCXZYQXLG-UHFFFAOYSA-N
XLogP2.66
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(6-bromonaphthalene-2-carbonyl)amino]propanoate
CID 115283275
ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 47437768
nonyl 3-[(3-methoxybenzoyl)amino]propanoate
CID 91715386
4-chloro-N-[3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]benzamide
CID 46536620
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 47437682
ethyl 3-[[4-[[(2S,3S)-1-[(6-methoxynaphthalen-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]benzoyl]amino]propanoate
CID 146224129
(3-methoxyphenyl)methyl 3-[(4-nitrobenzoyl)amino]propanoate
CID 32713096
N-(2-fluorophenyl)-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234366
3-ethoxy-N-(5-phenylpyrazolidin-3-yl)benzamide
CID 74640579
ethyl 3-[3-[(4-ethylbenzoyl)amino]propanoylamino]propanoate
CID 91714717
N-[4-(diethylamino)-2-methylphenyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75254957
ethyl 3-(3-methoxyphenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360187

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate?
The IUPAC name of ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate (CID 74840270) is ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate is CCOC(=O)CCNC(=O)c1ccc(C2CC(c3cccc(OC)c3)NN2)cc1.
What is the InChIKey of ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate?
The InChIKey is WAPQXPCXZYQXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-29-21(26)11-12-23-22(27)16-9-7-15(8-10-16)19-14-20(25-24-19)17-5-4-6-18(13-17)28-2/h4-10,13,19-20,24-25H,3,11-12,14H2,1-2H3,(H,23,27).
What are the key properties of ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate?
ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate has a molecular weight of 397.48 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-[5-(3-methoxyphenyl)pyrazolidin-3-yl]benzoyl]amino]propanoate is sourced from PubChem (CID 74840270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).