tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate

C14H30N2O3 — CID 107250414

IUPACtert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate
SMILESCCC(CNC(C)C(C)OC)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-8-12(9-15-10(2)11(3)18-7)16-13(17)19-14(4,5)6/h10-12,15H,8-9H2,1-7H3,(H,16,17)
InChIKeyXWARAIQIOYQIDU-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.30
Rot. Bonds7

About tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate

tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate (PubChem CID 107250414) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate
PubChem CID107250414
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC Nametert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate
SMILESCCC(CNC(C)C(C)OC)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-8-12(9-15-10(2)11(3)18-7)16-13(17)19-14(4,5)6/h10-12,15H,8-9H2,1-7H3,(H,16,17)
InChIKeyXWARAIQIOYQIDU-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-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785
tert-butyl N-(1-hydroxy-2-methoxypropyl)carbamate
CID 87884669
tert-butyl N-[(2S)-1-sulfanylbutan-2-yl]carbamate
CID 90130964
tert-butyl N-[1-(1-pyridin-4-ylethylamino)butan-2-yl]carbamate
CID 107250095
tert-butyl N-[1-[1-(1,3-thiazol-4-yl)ethylamino]butan-2-yl]carbamate
CID 107250501
tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782950
tert-butyl N-[1-(pentylamino)butan-2-yl]carbamate
CID 107250285
tert-butyl N-(5-oxoheptan-3-yl)carbamate
CID 163397442
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
tert-butyl N-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propan-2-yl]carbamate
CID 130574165
tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
CID 130573926

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate (CID 107250414) is tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate is CCC(CNC(C)C(C)OC)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate?
The InChIKey is XWARAIQIOYQIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-8-12(9-15-10(2)11(3)18-7)16-13(17)19-14(4,5)6/h10-12,15H,8-9H2,1-7H3,(H,16,17).
What are the key properties of tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate?
tert-butyl N-[1-(3-methoxybutan-2-ylamino)butan-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-(3-methoxybutan-2-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 107250414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).