tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate

C24H32N3O4+ — CID 9150397

IUPACtert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C24H31N3O4/c1-24(2,3)31-23(29)25-20-11-7-10-19(16-20)22(28)26-21(18-8-5-4-6-9-18)17-27-12-14-30-15-13-27/h4-11,16,21H,12-15,17H2,1-3H3,(H,25,29)(H,26,28)/p+1/t21-/m0/s1
InChIKeyCPZDZBINFDVTGD-NRFANRHFSA-O
MW426.54 g/mol
LogP2.42
Rot. Bonds6

About tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate

tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate (PubChem CID 9150397) has the molecular formula C24H32N3O4+ and a molecular weight of 426.54 g/mol. Its IUPAC name is tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate
PubChem CID9150397
Molecular FormulaC24H32N3O4+
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Nametert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C24H31N3O4/c1-24(2,3)31-23(29)25-20-11-7-10-19(16-20)22(28)26-21(18-8-5-4-6-9-18)17-27-12-14-30-15-13-27/h4-11,16,21H,12-15,17H2,1-3H3,(H,25,29)(H,26,28)/p+1/t21-/m0/s1
InChIKeyCPZDZBINFDVTGD-NRFANRHFSA-O
XLogP2.42
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]carbamoyl]phenyl]carbamate
CID 47043413
4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148385
4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148310
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 9149566
3-(2,2-dimethylpropanoylamino)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 134050340
tert-butyl 4-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 9150003
tert-butyl N-[3-(1-thiophen-2-ylpropylcarbamoyl)phenyl]carbamate
CID 55907611
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
CID 139196938
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
CID 9191948

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate (CID 9150397) is tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1.
What is the InChIKey of tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate?
The InChIKey is CPZDZBINFDVTGD-NRFANRHFSA-O. The full InChI is InChI=1S/C24H31N3O4/c1-24(2,3)31-23(29)25-20-11-7-10-19(16-20)22(28)26-21(18-8-5-4-6-9-18)17-27-12-14-30-15-13-27/h4-11,16,21H,12-15,17H2,1-3H3,(H,25,29)(H,26,28)/p+1/t21-/m0/s1.
What are the key properties of tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate has a molecular weight of 426.54 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9150397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).