1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate

C13H20N2O3 — CID 145443911

IUPAC1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate
SMILESCC(C)COCC(C)OC(=O)Nc1cccnc1
InChIInChI=1S/C13H20N2O3/c1-10(2)8-17-9-11(3)18-13(16)15-12-5-4-6-14-7-12/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
InChIKeyJEGKNHRMXVUVNF-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.69
Rot. Bonds6

About 1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate

1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate (PubChem CID 145443911) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate.

Molecular Properties

Compound Name1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate
PubChem CID145443911
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate
SMILESCC(C)COCC(C)OC(=O)Nc1cccnc1
InChIInChI=1S/C13H20N2O3/c1-10(2)8-17-9-11(3)18-13(16)15-12-5-4-6-14-7-12/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
InChIKeyJEGKNHRMXVUVNF-UHFFFAOYSA-N
XLogP2.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 7316708
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
4-methyl-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 61187819
(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
CID 59166574
(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate
CID 1213745
methyl 2-(pyridin-3-ylcarbamoyl)butanoate
CID 115187840
3-methyl-N-pyridin-3-ylpentanamide;molecular hydrogen
CID 166133137
(2S)-2-(pyridin-3-ylamino)propanoic acid
CID 159663521
2,2-difluoro-N-pyridin-3-ylacetamide
CID 103600571
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate?
The IUPAC name of 1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate (CID 145443911) is 1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate.
What is the SMILES notation for 1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate?
The canonical SMILES for 1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate is CC(C)COCC(C)OC(=O)Nc1cccnc1.
What is the InChIKey of 1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate?
The InChIKey is JEGKNHRMXVUVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(2)8-17-9-11(3)18-13(16)15-12-5-4-6-14-7-12/h4-7,10-11H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate?
1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate has a molecular weight of 252.31 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)propan-2-yl N-pyridin-3-ylcarbamate is sourced from PubChem (CID 145443911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).