tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate

C16H34N2O4 — CID 103390318

IUPACtert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC(CO)C(C)C
InChIInChI=1S/C16H34N2O4/c1-12(2)14(10-19)18-13(11-21-6)8-7-9-17-15(20)22-16(3,4)5/h12-14,18-19H,7-11H2,1-6H3,(H,17,20)
InChIKeyZEEMTZNSXIJHFX-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.91
Rot. Bonds10

About tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate

tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate (PubChem CID 103390318) has the molecular formula C16H34N2O4 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate
PubChem CID103390318
Molecular FormulaC16H34N2O4
Molecular Weight318.46 g/mol
Exact Mass318.25
IUPAC Nametert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC(CO)C(C)C
InChIInChI=1S/C16H34N2O4/c1-12(2)14(10-19)18-13(11-21-6)8-7-9-17-15(20)22-16(3,4)5/h12-14,18-19H,7-11H2,1-6H3,(H,17,20)
InChIKeyZEEMTZNSXIJHFX-UHFFFAOYSA-N
XLogP1.91
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(3,3-dimethylbutan-2-ylamino)-5-methoxypentyl]carbamate
CID 103390924
tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
CID 103386966
tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 103387404
tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
CID 103390094
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate
CID 103391054
tert-butyl N-[4-(hex-5-yn-3-ylamino)-5-methoxypentyl]carbamate
CID 103390984
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147
tert-butyl N-[5-methoxy-4-[1-(2H-tetrazol-5-yl)ethylamino]pentyl]carbamate
CID 103389670
tert-butyl N-[5-methoxy-4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentyl]carbamate
CID 103387888
tert-butyl N-[4-[[(1R)-1-(furan-2-yl)ethyl]amino]-5-methoxypentyl]carbamate
CID 103390562
tert-butyl N-[4-[(5-amino-5-oxopentyl)amino]-5-methoxypentyl]carbamate
CID 106234166

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate (CID 103390318) is tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NC(CO)C(C)C.
What is the InChIKey of tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate?
The InChIKey is ZEEMTZNSXIJHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O4/c1-12(2)14(10-19)18-13(11-21-6)8-7-9-17-15(20)22-16(3,4)5/h12-14,18-19H,7-11H2,1-6H3,(H,17,20).
What are the key properties of tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate?
tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 1.91, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate is sourced from PubChem (CID 103390318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).