tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate

C21H33N3O4 — CID 76787165

IUPACtert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H33N3O4/c1-6-15(2)18(23-20(26)28-21(3,4)5)19(25)22-16-9-7-8-10-17(16)24-11-13-27-14-12-24/h7-10,15,18H,6,11-14H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyUAUHRQFTGRZKJH-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.40
Rot. Bonds6

About tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate

tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate (PubChem CID 76787165) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate
PubChem CID76787165
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Nametert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H33N3O4/c1-6-15(2)18(23-20(26)28-21(3,4)5)19(25)22-16-9-7-8-10-17(16)24-11-13-27-14-12-24/h7-10,15,18H,6,11-14H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyUAUHRQFTGRZKJH-UHFFFAOYSA-N
XLogP3.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
CID 110425333
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 167063153
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate
CID 118296381
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
CID 108888338
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 55345333
2-[acetyl(butan-2-yl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159164
N-(2-morpholin-4-ylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000312
1-(2-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992097

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate (CID 76787165) is tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate is CCC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate?
The InChIKey is UAUHRQFTGRZKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-6-15(2)18(23-20(26)28-21(3,4)5)19(25)22-16-9-7-8-10-17(16)24-11-13-27-14-12-24/h7-10,15,18H,6,11-14H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate has a molecular weight of 391.51 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 76787165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).