tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane

C22H32N2O3 — CID 145472824

IUPACtert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane
SMILESCC.Cc1cncc(OCC(Cc2ccccc2)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H26N2O3.C2H6/c1-15-10-18(13-21-12-15)24-14-17(11-16-8-6-5-7-9-16)22-19(23)25-20(2,3)4;1-2/h5-10,12-13,17H,11,14H2,1-4H3,(H,22,23);1-2H3
InChIKeyMNEOSQWWHXAKBA-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.93
Rot. Bonds6

About tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane

tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane (PubChem CID 145472824) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane
PubChem CID145472824
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Nametert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane
SMILESCC.Cc1cncc(OCC(Cc2ccccc2)NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H26N2O3.C2H6/c1-15-10-18(13-21-12-15)24-14-17(11-16-8-6-5-7-9-16)22-19(23)25-20(2,3)4;1-2/h5-10,12-13,17H,11,14H2,1-4H3,(H,22,23);1-2H3
InChIKeyMNEOSQWWHXAKBA-UHFFFAOYSA-N
XLogP4.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane with MolForge

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Related Compounds

tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
tert-butyl N-[1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]carbamate
CID 11314550
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[1-bromo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 19261588
[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid
CID 69442567
4,5-dimethoxy-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropoxy]benzoic acid
CID 174204714
tert-butyl N-[(2S)-1-[[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 95280819
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
CID 142063959
tert-butyl N-[(2S)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 10015626
tert-butyl N-(4-oxo-1-phenylbutan-2-yl)carbamate
CID 14804348

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane?
The IUPAC name of tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane (CID 145472824) is tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane is CC.Cc1cncc(OCC(Cc2ccccc2)NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane?
The InChIKey is MNEOSQWWHXAKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.C2H6/c1-15-10-18(13-21-12-15)24-14-17(11-16-8-6-5-7-9-16)22-19(23)25-20(2,3)4;1-2/h5-10,12-13,17H,11,14H2,1-4H3,(H,22,23);1-2H3.
What are the key properties of tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane?
tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane has a molecular weight of 372.51 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(5-methyl-3-pyridinyl)oxy]-3-phenylpropan-2-yl]carbamate;ethane is sourced from PubChem (CID 145472824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).