tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate

C17H26N2O3 — CID 103748482

IUPACtert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CCOC1)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-15(13-7-5-4-6-8-13)11-18-14-9-10-21-12-14/h4-8,14-15,18H,9-12H2,1-3H3,(H,19,20)
InChIKeyHALHRLUKNCNICI-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.63
Rot. Bonds5

About tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate

tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate (PubChem CID 103748482) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate
PubChem CID103748482
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CNC1CCOC1)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-15(13-7-5-4-6-8-13)11-18-14-9-10-21-12-14/h4-8,14-15,18H,9-12H2,1-3H3,(H,19,20)
InChIKeyHALHRLUKNCNICI-UHFFFAOYSA-N
XLogP2.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
tert-butyl (3R)-3-phenylpiperazine-1-carboxylate
CID 7015616
(S)-tert-Butyl (1-amino-3-phenylpropan-2-yl)carbamate
CID 10422234
(2-Isopropyl-benzyl)-(S)-pyrrolidin-3-yl-carbamic acid ethyl ester
CID 44578371
N-(oxolan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2883263
Carbamic acid, N-[1-methyl-1-[3-(1-methylethenyl)phenyl]ethyl]-, 2-(2-oxo-1-imidazolidinyl)ethyl ester
CID 177843232
N-Benzyl-N'-boc-ethylenediamine
CID 10634443
tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 15675183
tert-butyl N-(2-amino-1-phenylethyl)carbamate
CID 16740609
N-benzyl-O-tert-butyl-N2-acetyl-D-serinamide
CID 44579179
Ethyl (1-phenylethyl)carbamate
CID 229069
Carbamic acid, (1-phenylethyl)-, 1,1-dimethylethyl ester
CID 591298

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate (CID 103748482) is tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate is CC(C)(C)OC(=O)NC(CNC1CCOC1)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate?
The InChIKey is HALHRLUKNCNICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-15(13-7-5-4-6-8-13)11-18-14-9-10-21-12-14/h4-8,14-15,18H,9-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate?
tert-butyl N-[2-(oxolan-3-ylamino)-1-phenylethyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.63, 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-(oxolan-3-ylamino)-1-phenylethyl]carbamate is sourced from PubChem (CID 103748482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).