ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate

C20H31N3O5 — CID 42701674

IUPACethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CCCN1CCOCC1)Cc1ccc(OC)cc1
InChIInChI=1S/C20H31N3O5/c1-3-28-19(24)15-21-20(25)23(10-4-9-22-11-13-27-14-12-22)16-17-5-7-18(26-2)8-6-17/h5-8H,3-4,9-16H2,1-2H3,(H,21,25)
InChIKeyHROIENIHMQHJEU-UHFFFAOYSA-N
MW393.48 g/mol
LogP1.49
Rot. Bonds10

About ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate

ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate (PubChem CID 42701674) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate
PubChem CID42701674
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Nameethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CCCN1CCOCC1)Cc1ccc(OC)cc1
InChIInChI=1S/C20H31N3O5/c1-3-28-19(24)15-21-20(25)23(10-4-9-22-11-13-27-14-12-22)16-17-5-7-18(26-2)8-6-17/h5-8H,3-4,9-16H2,1-2H3,(H,21,25)
InChIKeyHROIENIHMQHJEU-UHFFFAOYSA-N
XLogP1.49
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate with MolForge

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Related Compounds

ethyl 2-[[benzyl-[3-(4-benzylpiperidin-1-yl)propyl]carbamoyl]amino]acetate;2,2,2-trifluoroacetic acid
CID 162114410
4-[[3-(dimethylamino)propyl-[(2-ethoxy-2-oxoethyl)carbamoyl]amino]methyl]benzoic acid
CID 58001298
N-hexyl-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 47798791
3-cyclohexyl-1-[(3-methoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 3572608
3-(3-chloro-2-methylphenyl)-1-[(4-methoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 3259345
1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42701155
3-(2-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(4-nitrophenyl)methyl]urea
CID 42701726
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
3-(4-ethoxyphenyl)-1-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 4691840
3-benzyl-1-[(4-ethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)thiourea
CID 3399860
ethyl 4-[[(3-methoxy-4-phenylmethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]benzoate
CID 42708428
3-(4-ethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42701222

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate (CID 42701674) is ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(CCCN1CCOCC1)Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate?
The InChIKey is HROIENIHMQHJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-3-28-19(24)15-21-20(25)23(10-4-9-22-11-13-27-14-12-22)16-17-5-7-18(26-2)8-6-17/h5-8H,3-4,9-16H2,1-2H3,(H,21,25).
What are the key properties of ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate?
ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate has a molecular weight of 393.48 g/mol, XLogP of 1.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(4-methoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]acetate is sourced from PubChem (CID 42701674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).