tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate

C24H35N3O3 — CID 119052577

IUPACtert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate
SMILESCOCC(C)(NCC(CNC(=O)OC(C)(C)C)Cc1cccnc1)c1ccccc1
InChIInChI=1S/C24H35N3O3/c1-23(2,3)30-22(28)26-16-20(14-19-10-9-13-25-15-19)17-27-24(4,18-29-5)21-11-7-6-8-12-21/h6-13,15,20,27H,14,16-18H2,1-5H3,(H,26,28)
InChIKeyNGBKYQCQZOFVHC-UHFFFAOYSA-N
MW413.56 g/mol
LogP3.92
Rot. Bonds10

About tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate

tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate (PubChem CID 119052577) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate
PubChem CID119052577
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Nametert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate
SMILESCOCC(C)(NCC(CNC(=O)OC(C)(C)C)Cc1cccnc1)c1ccccc1
InChIInChI=1S/C24H35N3O3/c1-23(2,3)30-22(28)26-16-20(14-19-10-9-13-25-15-19)17-27-24(4,18-29-5)21-11-7-6-8-12-21/h6-13,15,20,27H,14,16-18H2,1-5H3,(H,26,28)
InChIKeyNGBKYQCQZOFVHC-UHFFFAOYSA-N
XLogP3.92
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(2R)-2-[(4-acetamidopiperidin-1-yl)methyl]-3-pyridin-3-ylpropyl]carbamate
CID 100662219
tert-butyl N-[[3-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]-1-bicyclo[1.1.1]pentanyl]methyl]carbamate
CID 155247579
methyl (2R)-2-benzyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10565656
methyl (2S)-4-methyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]pentanoate
CID 177426606
methyl (2S)-2-[[(2R)-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-3-pyridin-3-ylpropanoate
CID 59709769
tert-butyl N-[[4-[[[(2S)-2-amino-3-pyridin-3-ylpropanoyl]amino]methyl]-1-bicyclo[2.2.2]octanyl]methyl]carbamate
CID 155247565
3-methoxy-2-methyl-2-(pyridin-3-ylmethylamino)propanoic acid
CID 82239881
chloromethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoate
CID 165439573
(2S)-2-(methoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
CID 59166442
tert-butyl N-[(2S)-2-[[(3S)-3-(3-amino-3-oxopropyl)piperidin-1-yl]methyl]-3-pyridin-3-ylpropyl]carbamate
CID 100662173
tert-butyl N-[(2R)-1-(2-acetylhydrazinyl)-1-oxo-3-pyridin-3-ylpropan-2-yl]carbamate
CID 59438753
2-(methoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoic acid
CID 106489417

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate (CID 119052577) is tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate is COCC(C)(NCC(CNC(=O)OC(C)(C)C)Cc1cccnc1)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate?
The InChIKey is NGBKYQCQZOFVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-23(2,3)30-22(28)26-16-20(14-19-10-9-13-25-15-19)17-27-24(4,18-29-5)21-11-7-6-8-12-21/h6-13,15,20,27H,14,16-18H2,1-5H3,(H,26,28).
What are the key properties of tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate?
tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate has a molecular weight of 413.56 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(1-methoxy-2-phenylpropan-2-yl)amino]methyl]-3-pyridin-3-ylpropyl]carbamate is sourced from PubChem (CID 119052577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).