N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide

C15H26BrNO2 — CID 145419732

IUPACN-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide
SMILESC#CCCC(=O)NC(C)(C)CCOC(C)(C)CCBr
InChIInChI=1S/C15H26BrNO2/c1-6-7-8-13(18)17-14(2,3)10-12-19-15(4,5)9-11-16/h1H,7-12H2,2-5H3,(H,17,18)
InChIKeyVSZFCRVYUZOTEB-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.26
Rot. Bonds9

About N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide

N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide (PubChem CID 145419732) has the molecular formula C15H26BrNO2 and a molecular weight of 332.28 g/mol. Its IUPAC name is N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide.

Molecular Properties

Compound NameN-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide
PubChem CID145419732
Molecular FormulaC15H26BrNO2
Molecular Weight332.28 g/mol
Exact Mass331.11
IUPAC NameN-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide
SMILESC#CCCC(=O)NC(C)(C)CCOC(C)(C)CCBr
InChIInChI=1S/C15H26BrNO2/c1-6-7-8-13(18)17-14(2,3)10-12-19-15(4,5)9-11-16/h1H,7-12H2,2-5H3,(H,17,18)
InChIKeyVSZFCRVYUZOTEB-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-4-[3-methyl-3-(pent-4-ynoylamino)butoxy]pentanoic acid
CID 145419739
5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
CID 90800865
N-[2-methyl-4-(2-methylhex-5-yn-2-yloxy)butan-2-yl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 123273959
ethane;4-methyl-N-[2-methyl-4-[2-methyl-4-[[2-(methylamino)-2-oxoethyl]amino]butan-2-yl]oxybutan-2-yl]pentanamide
CID 156817336
4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane
CID 155698441
N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
CID 143784438
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]propanamide
CID 174254450
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 170276011
tert-butyl N-[2-methyl-4-[2-methyl-5-[[3-methyl-3-[3-methyl-3-(propanoylamino)butoxy]butyl]amino]-5-oxopentan-2-yl]oxybutan-2-yl]carbamate
CID 170128014
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-5-[2-(methylamino)ethylamino]-4-oxopentanamide
CID 129288682

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide?
The IUPAC name of N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide (CID 145419732) is N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide.
What is the SMILES notation for N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide?
The canonical SMILES for N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide is C#CCCC(=O)NC(C)(C)CCOC(C)(C)CCBr.
What is the InChIKey of N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide?
The InChIKey is VSZFCRVYUZOTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO2/c1-6-7-8-13(18)17-14(2,3)10-12-19-15(4,5)9-11-16/h1H,7-12H2,2-5H3,(H,17,18).
What are the key properties of N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide?
N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide has a molecular weight of 332.28 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide is sourced from PubChem (CID 145419732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).