tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid

C17H26N2O3 — CID 175111015

IUPACtert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)19(16(20)21)15(14-7-5-4-6-8-14)13-18-9-11-22-12-10-18/h4-8,15H,9-13H2,1-3H3,(H,20,21)
InChIKeyZSGMSAYMAZXELI-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.84
Rot. Bonds4

About tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid

tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid (PubChem CID 175111015) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid
PubChem CID175111015
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)19(16(20)21)15(14-7-5-4-6-8-14)13-18-9-11-22-12-10-18/h4-8,15H,9-13H2,1-3H3,(H,20,21)
InChIKeyZSGMSAYMAZXELI-UHFFFAOYSA-N
XLogP2.84
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-ethyl-N-methyl-2-morpholin-4-yl-1-phenylethanamine
CID 143114202
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
1-[benzyl(tert-butyl)amino]-3-morpholin-4-ylpropan-2-ol
CID 3742716
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
CID 58948589
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
(2S,3S)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
CID 28949467
(2R,3R)-2-(4-ethylphenyl)-4-morpholin-4-yl-3-phenylbutan-2-ol
CID 28949464
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
4-[(2S)-2-chloro-2-phenylethyl]morpholine
CID 92778596
4-[(2R)-2-fluoro-2-phenylethyl]morpholine
CID 134934166

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid?
The IUPAC name of tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid (CID 175111015) is tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid.
What is the SMILES notation for tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid?
The canonical SMILES for tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid is CC(C)(C)N(C(=O)O)C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid?
The InChIKey is ZSGMSAYMAZXELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)19(16(20)21)15(14-7-5-4-6-8-14)13-18-9-11-22-12-10-18/h4-8,15H,9-13H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid?
tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid has a molecular weight of 306.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2-morpholin-4-yl-1-phenylethyl)carbamic acid is sourced from PubChem (CID 175111015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).