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

C16H34N2O3 — CID 103782952

IUPACtert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
SMILESCOCCC(C)NC(CNC(=O)OC(C)(C)C)CC(C)C
InChIInChI=1S/C16H34N2O3/c1-12(2)10-14(18-13(3)8-9-20-7)11-17-15(19)21-16(4,5)6/h12-14,18H,8-11H2,1-7H3,(H,17,19)
InChIKeyUQVDHPMMHSOCGD-UHFFFAOYSA-N
MW302.46 g/mol
LogP2.94
Rot. Bonds9

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

tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate (PubChem CID 103782952) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
PubChem CID103782952
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Nametert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
SMILESCOCCC(C)NC(CNC(=O)OC(C)(C)C)CC(C)C
InChIInChI=1S/C16H34N2O3/c1-12(2)10-14(18-13(3)8-9-20-7)11-17-15(19)21-16(4,5)6/h12-14,18H,8-11H2,1-7H3,(H,17,19)
InChIKeyUQVDHPMMHSOCGD-UHFFFAOYSA-N
XLogP2.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 107252263
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[4-methyl-2-(3-methylbutan-2-ylamino)pentyl]carbamate
CID 103782936
tert-butyl N-[2-(3-methoxybutan-2-ylamino)-4-methylpentyl]carbamate
CID 103782950
tert-butyl N-[2-(1,1-dimethoxypropan-2-ylamino)-4-methylpentyl]carbamate
CID 107252224
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 103387404
tert-butyl N-[2-(1-cyclopropylethylamino)-4-methylpentyl]carbamate
CID 103729667
tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
CID 107256457
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
methyl 4-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-ylamino]pentanoate
CID 103388232

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate (CID 103782952) is tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate is COCCC(C)NC(CNC(=O)OC(C)(C)C)CC(C)C.
What is the InChIKey of tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate?
The InChIKey is UQVDHPMMHSOCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-12(2)10-14(18-13(3)8-9-20-7)11-17-15(19)21-16(4,5)6/h12-14,18H,8-11H2,1-7H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate?
tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate has a molecular weight of 302.46 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-methoxybutan-2-ylamino)-4-methylpentyl]carbamate is sourced from PubChem (CID 103782952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).