ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate

C24H30N2O4 — CID 56513208

IUPACethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate
SMILESCCOC(=O)C(CNC(=O)c1cccc(CN2CCOCC2)c1)Cc1ccccc1
InChIInChI=1S/C24H30N2O4/c1-2-30-24(28)22(15-19-7-4-3-5-8-19)17-25-23(27)21-10-6-9-20(16-21)18-26-11-13-29-14-12-26/h3-10,16,22H,2,11-15,17-18H2,1H3,(H,25,27)
InChIKeyNHEGMOPLOHQZOG-UHFFFAOYSA-N
MW410.51 g/mol
LogP2.67
Rot. Bonds9

About ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate

ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate (PubChem CID 56513208) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate
PubChem CID56513208
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Nameethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate
SMILESCCOC(=O)C(CNC(=O)c1cccc(CN2CCOCC2)c1)Cc1ccccc1
InChIInChI=1S/C24H30N2O4/c1-2-30-24(28)22(15-19-7-4-3-5-8-19)17-25-23(27)21-10-6-9-20(16-21)18-26-11-13-29-14-12-26/h3-10,16,22H,2,11-15,17-18H2,1H3,(H,25,27)
InChIKeyNHEGMOPLOHQZOG-UHFFFAOYSA-N
XLogP2.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
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3-(morpholin-4-ylmethyl)-N-pentylbenzamide
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ethyl 3-[3-(morpholin-4-ylmethyl)benzoyl]benzoate
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N-benzhydryl-3-(morpholin-4-ylmethyl)benzamide
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butyl 4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
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N-[(1R)-1-(4-methylphenyl)propyl]-3-(morpholin-4-ylmethyl)benzamide
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bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 28565288
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
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CID 119997738

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate?
The IUPAC name of ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate (CID 56513208) is ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate.
What is the SMILES notation for ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate?
The canonical SMILES for ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate is CCOC(=O)C(CNC(=O)c1cccc(CN2CCOCC2)c1)Cc1ccccc1.
What is the InChIKey of ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate?
The InChIKey is NHEGMOPLOHQZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-2-30-24(28)22(15-19-7-4-3-5-8-19)17-25-23(27)21-10-6-9-20(16-21)18-26-11-13-29-14-12-26/h3-10,16,22H,2,11-15,17-18H2,1H3,(H,25,27).
What are the key properties of ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate?
ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate has a molecular weight of 410.51 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]propanoate is sourced from PubChem (CID 56513208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).