tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate

C20H31N3O4 — CID 17476807

IUPACtert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C20H31N3O4/c1-19(2,3)27-18(25)22-16-8-6-15(7-9-16)17(24)21-14-20(4,5)23-10-12-26-13-11-23/h6-9H,10-14H2,1-5H3,(H,21,24)(H,22,25)
InChIKeySFUBCFWTVFBGNG-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.87
Rot. Bonds5

About tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate

tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate (PubChem CID 17476807) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate
PubChem CID17476807
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Nametert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C20H31N3O4/c1-19(2,3)27-18(25)22-16-8-6-15(7-9-16)17(24)21-14-20(4,5)23-10-12-26-13-11-23/h6-9H,10-14H2,1-5H3,(H,21,24)(H,22,25)
InChIKeySFUBCFWTVFBGNG-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
methyl N-[4-[[[N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]amino]methyl]phenyl]carbamate
CID 111314262
N-(2-methyl-2-morpholin-4-ylpropyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4882501
tert-butyl N-[4-[(3-fluoro-4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamate
CID 56500216
4-bromo-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 17488295
tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51253483
tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate
CID 31400679
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
tert-butyl N-[4-(2-methylsulfanylethylcarbamoyl)phenyl]carbamate
CID 60666349
tert-butyl N-[4-[[2-(ethylamino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9224948
tert-butyl N-[3-[(2-methyl-2-morpholin-4-ylpropyl)amino]propyl]carbamate
CID 103821631

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate (CID 17476807) is tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1.
What is the InChIKey of tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate?
The InChIKey is SFUBCFWTVFBGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-19(2,3)27-18(25)22-16-8-6-15(7-9-16)17(24)21-14-20(4,5)23-10-12-26-13-11-23/h6-9H,10-14H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate?
tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate has a molecular weight of 377.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 17476807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).