tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate

C14H30N2O4 — CID 107249962

IUPACtert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate
SMILESCOC(OC)C(C)NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O4/c1-10(11(18-7)19-8)15-9-14(5,6)16-12(17)20-13(2,3)4/h10-11,15H,9H2,1-8H3,(H,16,17)
InChIKeyLSZNFLNZEHXBCF-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.89
Rot. Bonds7

About tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate (PubChem CID 107249962) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate
PubChem CID107249962
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Nametert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate
SMILESCOC(OC)C(C)NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O4/c1-10(11(18-7)19-8)15-9-14(5,6)16-12(17)20-13(2,3)4/h10-11,15H,9H2,1-8H3,(H,16,17)
InChIKeyLSZNFLNZEHXBCF-UHFFFAOYSA-N
XLogP1.89
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
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-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 103788272
tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 103788233
tert-butyl N-[2-(1,1-dimethoxypropan-2-ylamino)-4-methylpentyl]carbamate
CID 107252224
(2R)-3-methoxy-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-phenylpropanoic acid
CID 174463227
tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
CID 103788232
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901
tert-butyl N-[1-[1-(2,5-dichlorophenyl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 107250064
methyl 3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[[3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoate
CID 15384249
tert-butyl N-[1-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 104582926
tert-butyl N-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 103788216
tert-butyl N-(1-bromo-2,3-dimethylbutan-2-yl)carbamate
CID 130802428

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate (CID 107249962) is tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate is COC(OC)C(C)NCC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate?
The InChIKey is LSZNFLNZEHXBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-10(11(18-7)19-8)15-9-14(5,6)16-12(17)20-13(2,3)4/h10-11,15H,9H2,1-8H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate has a molecular weight of 290.40 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 107249962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).