tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate

C18H28N2O3 — CID 103827885

IUPACtert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate
SMILESCC1OCCC1NCC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-13-15(10-11-22-13)19-12-16(14-8-6-5-7-9-14)20-17(21)23-18(2,3)4/h5-9,13,15-16,19H,10-12H2,1-4H3,(H,20,21)
InChIKeyZYPCLRNLDGJUIP-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.02
Rot. Bonds5

About tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate

tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate (PubChem CID 103827885) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate
PubChem CID103827885
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate
SMILESCC1OCCC1NCC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-13-15(10-11-22-13)19-12-16(14-8-6-5-7-9-14)20-17(21)23-18(2,3)4/h5-9,13,15-16,19H,10-12H2,1-4H3,(H,20,21)
InChIKeyZYPCLRNLDGJUIP-UHFFFAOYSA-N
XLogP3.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(2-methylcyclopentyl)amino]-1-phenylethyl]carbamate
CID 103748481
tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
CID 103700824
tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate
CID 103748482
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]amino]butanoic acid
CID 107241106
tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
CID 107238153
tert-butyl N-[3-(cyclobutylamino)-1-phenylpropyl]carbamate
CID 107256614
tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate
CID 69313098
tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate
CID 107241116
3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 75441504
tert-butyl N-[(1R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]carbamate
CID 126629581
tert-butyl N-[2-(furan-3-ylmethylamino)-1-phenylethyl]carbamate
CID 103700823

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate (CID 103827885) is tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate is CC1OCCC1NCC(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate?
The InChIKey is ZYPCLRNLDGJUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13-15(10-11-22-13)19-12-16(14-8-6-5-7-9-14)20-17(21)23-18(2,3)4/h5-9,13,15-16,19H,10-12H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate?
tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate is sourced from PubChem (CID 103827885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).