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

C20H31N3O4 — CID 110425333

IUPACtert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H31N3O4/c1-14(2)17(22-19(25)27-20(3,4)5)18(24)21-15-8-6-7-9-16(15)23-10-12-26-13-11-23/h6-9,14,17H,10-13H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyXAOZZKISHLFGBY-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.01
Rot. Bonds5

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

tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate (PubChem CID 110425333) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
PubChem CID110425333
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Nametert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C20H31N3O4/c1-14(2)17(22-19(25)27-20(3,4)5)18(24)21-15-8-6-7-9-16(15)23-10-12-26-13-11-23/h6-9,14,17H,10-13H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyXAOZZKISHLFGBY-UHFFFAOYSA-N
XLogP3.01
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate
CID 76787165
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-morpholin-4-ylanilino)-3-oxopropyl]phenyl] acetate
CID 118296381
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110316961
1-(2-morpholin-4-ylphenyl)-3-(2-propan-2-yloxyphenyl)urea
CID 108992097
ethyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]benzoate
CID 110428354
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
CID 108888338
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 7940676
2-(2-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
CID 134037929
tert-butyl N-[3-methyl-1-oxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]butan-2-yl]carbamate
CID 110613795

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate (CID 110425333) is tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate is CC(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-oxobutan-2-yl]carbamate?
The InChIKey is XAOZZKISHLFGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-14(2)17(22-19(25)27-20(3,4)5)18(24)21-15-8-6-7-9-16(15)23-10-12-26-13-11-23/h6-9,14,17H,10-13H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate has a molecular weight of 377.49 g/mol, XLogP of 3.01, 5 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-oxobutan-2-yl]carbamate is sourced from PubChem (CID 110425333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).