4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane

C21H46N2O3 — CID 155698441

IUPAC4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane
SMILESCC(C)(C)C.CC(C)(N)CCOC(C)(C)CCC(=O)NC(C)(C)CCO
InChIInChI=1S/C16H34N2O3.C5H12/c1-14(2,17)10-12-21-16(5,6)8-7-13(20)18-15(3,4)9-11-19;1-5(2,3)4/h19H,7-12,17H2,1-6H3,(H,18,20);1-4H3
InChIKeyAHBGOEKFCGAPQV-UHFFFAOYSA-N
MW374.61 g/mol
LogP4.02
Rot. Bonds10

About 4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane

4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane (PubChem CID 155698441) has the molecular formula C21H46N2O3 and a molecular weight of 374.61 g/mol. Its IUPAC name is 4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane.

Molecular Properties

Compound Name4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane
PubChem CID155698441
Molecular FormulaC21H46N2O3
Molecular Weight374.61 g/mol
Exact Mass374.35
IUPAC Name4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane
SMILESCC(C)(C)C.CC(C)(N)CCOC(C)(C)CCC(=O)NC(C)(C)CCO
InChIInChI=1S/C16H34N2O3.C5H12/c1-14(2,17)10-12-21-16(5,6)8-7-13(20)18-15(3,4)9-11-19;1-5(2,3)4/h19H,7-12,17H2,1-6H3,(H,18,20);1-4H3
InChIKeyAHBGOEKFCGAPQV-UHFFFAOYSA-N
XLogP4.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane with MolForge

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Related Compounds

4-[3-[(4-hydroxy-2-methylbutan-2-yl)amino]-3-methylbutoxy]-4-methylpentanoic acid
CID 129177449
4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide
CID 123859244
2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate
CID 167070130
4-methyl-4-[3-methyl-3-(pent-4-ynoylamino)butoxy]pentanoic acid
CID 145419739
2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 176675274
5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
CID 90800865
4-(2-hydroxyethoxy)-4-methylpentanamide
CID 167307614
N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide
CID 145419732
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
5-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pentanamide
CID 107910640
N-(4-hydroxy-2-methylbutan-2-yl)-3,3-dimethylbutanamide
CID 58875139
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 4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane?
The IUPAC name of 4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane (CID 155698441) is 4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane.
What is the SMILES notation for 4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane?
The canonical SMILES for 4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane is CC(C)(C)C.CC(C)(N)CCOC(C)(C)CCC(=O)NC(C)(C)CCO.
What is the InChIKey of 4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane?
The InChIKey is AHBGOEKFCGAPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3.C5H12/c1-14(2,17)10-12-21-16(5,6)8-7-13(20)18-15(3,4)9-11-19;1-5(2,3)4/h19H,7-12,17H2,1-6H3,(H,18,20);1-4H3.
What are the key properties of 4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane?
4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane has a molecular weight of 374.61 g/mol, XLogP of 4.02, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane is sourced from PubChem (CID 155698441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).