ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

C21H33N3O5 — CID 55648266

IUPACethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)NCC(c1ccc(OC)cc1)N1CCOCC1)C(C)C
InChIInChI=1S/C21H33N3O5/c1-5-29-21(26)23-19(15(2)3)20(25)22-14-18(24-10-12-28-13-11-24)16-6-8-17(27-4)9-7-16/h6-9,15,18-19H,5,10-14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyOZTPCTBVXNWRLU-UHFFFAOYSA-N
MW407.51 g/mol
LogP1.96
Rot. Bonds9

About ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 55648266) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID55648266
Molecular FormulaC21H33N3O5
Molecular Weight407.51 g/mol
Exact Mass407.24
IUPAC Nameethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCCOC(=O)NC(C(=O)NCC(c1ccc(OC)cc1)N1CCOCC1)C(C)C
InChIInChI=1S/C21H33N3O5/c1-5-29-21(26)23-19(15(2)3)20(25)22-14-18(24-10-12-28-13-11-24)16-6-8-17(27-4)9-7-16/h6-9,15,18-19H,5,10-14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyOZTPCTBVXNWRLU-UHFFFAOYSA-N
XLogP1.96
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
(2S)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 55937120
2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride
CID 119829745
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 112789946
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 42910246
2-cyclopropyl-N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 110621760
2-hydroxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 51186231
methyl 3-[[N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-N'-methylcarbamimidoyl]amino]-2-methylpropanoate;hydroiodide
CID 111310051

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 55648266) is ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is CCOC(=O)NC(C(=O)NCC(c1ccc(OC)cc1)N1CCOCC1)C(C)C.
What is the InChIKey of ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is OZTPCTBVXNWRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O5/c1-5-29-21(26)23-19(15(2)3)20(25)22-14-18(24-10-12-28-13-11-24)16-6-8-17(27-4)9-7-16/h6-9,15,18-19H,5,10-14H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate?
ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 407.51 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 55648266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).