tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate

C16H26N2O4 — CID 169013132

IUPACtert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate
SMILESCOC(OC)c1ccncc1CC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O4/c1-11(18-15(19)22-16(2,3)4)9-12-10-17-8-7-13(12)14(20-5)21-6/h7-8,10-11,14H,9H2,1-6H3,(H,18,19)
InChIKeyLYCRIYKTAQYYQM-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.83
Rot. Bonds6

About tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate

tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate (PubChem CID 169013132) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate
PubChem CID169013132
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Nametert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate
SMILESCOC(OC)c1ccncc1CC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H26N2O4/c1-11(18-15(19)22-16(2,3)4)9-12-10-17-8-7-13(12)14(20-5)21-6/h7-8,10-11,14H,9H2,1-6H3,(H,18,19)
InChIKeyLYCRIYKTAQYYQM-UHFFFAOYSA-N
XLogP2.83
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-[(4-methyl-3-pyridinyl)methylamino]butan-2-yl]carbamate
CID 107247056
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
CID 130852205
2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
CID 129405884
tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate
CID 175178834
tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate
CID 172851620
tert-butyl N-[1-(2-fluoro-4-methyl-3-pyridinyl)propan-2-yl]carbamate
CID 177040114
tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 94811556
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 143988423
tert-butyl N-[2-(4-chloro-3-pyridinyl)ethyl]carbamate
CID 141078611
tert-butyl N-(3-oxo-1-pyridin-4-ylbutan-2-yl)carbamate
CID 22747896
tert-butyl N-[(2S)-1-oxo-1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-yl-3-pyridinyl)propan-2-yl]carbamate
CID 11211426

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate (CID 169013132) is tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate is COC(OC)c1ccncc1CC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate?
The InChIKey is LYCRIYKTAQYYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-11(18-15(19)22-16(2,3)4)9-12-10-17-8-7-13(12)14(20-5)21-6/h7-8,10-11,14H,9H2,1-6H3,(H,18,19).
What are the key properties of tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate?
tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate has a molecular weight of 310.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(dimethoxymethyl)-3-pyridinyl]propan-2-yl]carbamate is sourced from PubChem (CID 169013132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).