tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate

C14H30N2O3 — CID 103788272

IUPACtert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate
SMILESCOCCC(C)NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-11(8-9-18-7)15-10-14(5,6)16-12(17)19-13(2,3)4/h11,15H,8-10H2,1-7H3,(H,16,17)
InChIKeyOKLGIQDBUNSAND-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.30
Rot. Bonds7

About tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate (PubChem CID 103788272) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate
PubChem CID103788272
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Nametert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate
SMILESCOCCC(C)NCC(C)(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-11(8-9-18-7)15-10-14(5,6)16-12(17)19-13(2,3)4/h11,15H,8-10H2,1-7H3,(H,16,17)
InChIKeyOKLGIQDBUNSAND-UHFFFAOYSA-N
XLogP2.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(hexan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 103788233
tert-butyl N-[1-(1,1-dimethoxypropan-2-ylamino)-2-methylpropan-2-yl]carbamate
CID 107249962
3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide
CID 115748000
tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782952
3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol
CID 66168803
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
N-(4-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine
CID 115892877
tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate
CID 104955597
tert-butyl N-[1-[1-(3-fluorophenyl)propan-2-ylamino]-2-methylpropan-2-yl]carbamate
CID 103788194
tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 107250066
2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
CID 115595179

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate (CID 103788272) is tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate is COCCC(C)NCC(C)(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate?
The InChIKey is OKLGIQDBUNSAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-11(8-9-18-7)15-10-14(5,6)16-12(17)19-13(2,3)4/h11,15H,8-10H2,1-7H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate has a molecular weight of 274.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 103788272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).