tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate

C22H29N3O5 — CID 146265174

IUPACtert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cncc(Oc2ccc(C)c(OC)c2)c1
InChIInChI=1S/C22H29N3O5/c1-7-18(25-21(27)30-22(3,4)5)20(26)24-15-10-17(13-23-12-15)29-16-9-8-14(2)19(11-16)28-6/h8-13,18H,7H2,1-6H3,(H,24,26)(H,25,27)/t18-/m1/s1
InChIKeyWVTDMEFAAROTAP-GOSISDBHSA-N
MW415.49 g/mol
LogP4.43
Rot. Bonds7

About tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate (PubChem CID 146265174) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
PubChem CID146265174
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Nametert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cncc(Oc2ccc(C)c(OC)c2)c1
InChIInChI=1S/C22H29N3O5/c1-7-18(25-21(27)30-22(3,4)5)20(26)24-15-10-17(13-23-12-15)29-16-9-8-14(2)19(11-16)28-6/h8-13,18H,7H2,1-6H3,(H,24,26)(H,25,27)/t18-/m1/s1
InChIKeyWVTDMEFAAROTAP-GOSISDBHSA-N
XLogP4.43
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2R)-1-[[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamate
CID 70975813
tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate
CID 71113062
tert-butyl N-[(2R)-1-oxo-1-[[2-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-yl]amino]butan-2-yl]carbamate
CID 86698457
tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 71004465
tert-butyl N-[3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 22501705
tert-butyl N-[(2S)-1-[4-(3,4-dichlorophenyl)anilino]-1-oxobutan-2-yl]carbamate
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tert-butyl N-[1-[4-fluoro-2-(pyridin-3-ylamino)anilino]-1-oxobutan-2-yl]carbamate
CID 77456075
[5-[[(2S)-3-(4-boronophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-pyridinyl]boronic acid
CID 168938889
tert-butyl N-[1-[2-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110607072
tert-butyl N-[(2S)-1-(2-hydroxyethylamino)-1-oxobutan-2-yl]carbamate
CID 58935373
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)-2-pyridinyl]butanamide
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[5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl] ethanesulfonate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate (CID 146265174) is tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate is CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cncc(Oc2ccc(C)c(OC)c2)c1.
What is the InChIKey of tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate?
The InChIKey is WVTDMEFAAROTAP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-7-18(25-21(27)30-22(3,4)5)20(26)24-15-10-17(13-23-12-15)29-16-9-8-14(2)19(11-16)28-6/h8-13,18H,7H2,1-6H3,(H,24,26)(H,25,27)/t18-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate has a molecular weight of 415.49 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 146265174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).