tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate

C16H34N2O3 — CID 103782950

IUPACtert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
SMILESCOC(C)C(C)NC(CNC(=O)OC(C)(C)C)CC(C)C
InChIInChI=1S/C16H34N2O3/c1-11(2)9-14(18-12(3)13(4)20-8)10-17-15(19)21-16(5,6)7/h11-14,18H,9-10H2,1-8H3,(H,17,19)
InChIKeyQTTKSMUECNSXDV-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.94
Rot. Bonds8

About tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate

tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate (PubChem CID 103782950) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
PubChem CID103782950
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nametert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
SMILESCOC(C)C(C)NC(CNC(=O)OC(C)(C)C)CC(C)C
InChIInChI=1S/C16H34N2O3/c1-11(2)9-14(18-12(3)13(4)20-8)10-17-15(19)21-16(5,6)7/h11-14,18H,9-10H2,1-8H3,(H,17,19)
InChIKeyQTTKSMUECNSXDV-UHFFFAOYSA-N
XLogP2.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(1,1-dimethoxypropan-2-ylamino)-4-methylpentyl]carbamate
CID 107252224
tert-butyl N-[4-methyl-2-(3-methylbutan-2-ylamino)pentyl]carbamate
CID 103782936
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 107252263
tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782952
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
CID 107251188
methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate
CID 103388232
tert-butyl N-[2-(cyclohexylamino)-4-methylpentyl]carbamate
CID 107252262
tert-butyl N-[(2R)-2,3-dimethoxypropyl]carbamate
CID 87486747
tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate
CID 110288491

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate (CID 103782950) is tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate is COC(C)C(C)NC(CNC(=O)OC(C)(C)C)CC(C)C.
What is the InChIKey of tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate?
The InChIKey is QTTKSMUECNSXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-11(2)9-14(18-12(3)13(4)20-8)10-17-15(19)21-16(5,6)7/h11-14,18H,9-10H2,1-8H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate?
tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate has a molecular weight of 302.46 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate is sourced from PubChem (CID 103782950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).