4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide

C17H32N2O2 — CID 123859244

IUPAC4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide
SMILESCC(C)C#CCNC(=O)CCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C17H32N2O2/c1-14(2)8-7-12-19-15(20)9-10-17(5,6)21-13-11-16(3,4)18/h14H,9-13,18H2,1-6H3,(H,19,20)
InChIKeyQDSGKBSXSVUMGQ-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.46
Rot. Bonds8

About 4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide

4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide (PubChem CID 123859244) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide.

Molecular Properties

Compound Name4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide
PubChem CID123859244
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide
SMILESCC(C)C#CCNC(=O)CCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C17H32N2O2/c1-14(2)8-7-12-19-15(20)9-10-17(5,6)21-13-11-16(3,4)18/h14H,9-13,18H2,1-6H3,(H,19,20)
InChIKeyQDSGKBSXSVUMGQ-UHFFFAOYSA-N
XLogP2.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-4-[2-methyl-5-(4-methylpent-2-ynylamino)-5-oxopentan-2-yl]oxybutan-2-yl]carbamothioic S-acid
CID 138568254
4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane
CID 155698441
2-methylbutan-2-yl 4-(3-amino-3-methylbutoxy)-4-methylpentanoate
CID 167070130
[2-[2-[2-[3-(4-methylpent-2-ynylamino)-3-oxopropoxy]ethoxy]ethoxy]-4-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-yl] thiocyanate
CID 166562559
4-butoxy-4-methyl-N-propylpentanamide
CID 156884877
2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 176675274
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methyl-N-[2-[2-methyl-4-[2-methyl-5-[2-[2-methyl-4-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentan-2-yl]oxybutan-2-yl]oxyethyl]pentanamide
CID 138710128
4-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-3-methylbutoxy]-N-ethyl-4-methylpentanamide
CID 171558009
dimethyl-[2-[[4-methyl-4-(3-methylpentoxy)pentanoyl]amino]ethyl]azanium
CID 177060891
N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide
CID 166464920
N-(3,3-dimethylbutyl)-4-[3-(2,2-dimethylpropylsulfanyl)-3-methylbutoxy]-4-methylpentanamide
CID 134175289
2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide
CID 167045313

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide?
The IUPAC name of 4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide (CID 123859244) is 4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide.
What is the SMILES notation for 4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide?
The canonical SMILES for 4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide is CC(C)C#CCNC(=O)CCC(C)(C)OCCC(C)(C)N.
What is the InChIKey of 4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide?
The InChIKey is QDSGKBSXSVUMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)8-7-12-19-15(20)9-10-17(5,6)21-13-11-16(3,4)18/h14H,9-13,18H2,1-6H3,(H,19,20).
What are the key properties of 4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide?
4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide has a molecular weight of 296.45 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-3-methylbutoxy)-4-methyl-N-(4-methylpent-2-ynyl)pentanamide is sourced from PubChem (CID 123859244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).