tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate

C18H30N2O3 — CID 103786410

IUPACtert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate
SMILESCCOCC(C)NCC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O3/c1-6-22-13-14(2)19-12-16(15-10-8-7-9-11-15)20-17(21)23-18(3,4)5/h7-11,14,16,19H,6,12-13H2,1-5H3,(H,20,21)
InChIKeyCAAQUKKMCSELOC-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.27
Rot. Bonds8

About tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate

tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate (PubChem CID 103786410) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate
PubChem CID103786410
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate
SMILESCCOCC(C)NCC(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H30N2O3/c1-6-22-13-14(2)19-12-16(15-10-8-7-9-11-15)20-17(21)23-18(3,4)5/h7-11,14,16,19H,6,12-13H2,1-5H3,(H,20,21)
InChIKeyCAAQUKKMCSELOC-UHFFFAOYSA-N
XLogP3.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]amino]butanoic acid
CID 107241106
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate
CID 107241116
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
tert-butyl N-[(1R)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338638
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338637
tert-butyl N-[(1R)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]-1-phenylethyl]carbamate
CID 69313098
ethyl (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-5-phenylpentanoate
CID 91612546
tert-butyl N-[2-(cyclopentylamino)-1-phenylethyl]carbamate
CID 103700824
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate (CID 103786410) is tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate is CCOCC(C)NCC(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate?
The InChIKey is CAAQUKKMCSELOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-6-22-13-14(2)19-12-16(15-10-8-7-9-11-15)20-17(21)23-18(3,4)5/h7-11,14,16,19H,6,12-13H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate?
tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-ethoxypropan-2-ylamino)-1-phenylethyl]carbamate is sourced from PubChem (CID 103786410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).