2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide

C15H31N3O3 — CID 170100793

IUPAC2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide
SMILESCC(CCC(=O)NC(C(N)=O)C(C)C)OCCC(C)(C)N
InChIInChI=1S/C15H31N3O3/c1-10(2)13(14(16)20)18-12(19)7-6-11(3)21-9-8-15(4,5)17/h10-11,13H,6-9,17H2,1-5H3,(H2,16,20)(H,18,19)
InChIKeyHMQVCULYCLGUNC-UHFFFAOYSA-N
MW301.43 g/mol
LogP0.93
Rot. Bonds10

About 2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide

2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide (PubChem CID 170100793) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide
PubChem CID170100793
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide
SMILESCC(CCC(=O)NC(C(N)=O)C(C)C)OCCC(C)(C)N
InChIInChI=1S/C15H31N3O3/c1-10(2)13(14(16)20)18-12(19)7-6-11(3)21-9-8-15(4,5)17/h10-11,13H,6-9,17H2,1-5H3,(H2,16,20)(H,18,19)
InChIKeyHMQVCULYCLGUNC-UHFFFAOYSA-N
XLogP0.93
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[2-[[2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanoyl]amino]acetyl]amino]phenyl]methyl phosphanylformate
CID 170115017
2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide
CID 106345043
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
CID 106344071
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanehydrazide
CID 112590279
N-(2,8-dimethyl-3,7-dioxononan-4-yl)-4-[3-methyl-3-(methylamino)butoxy]pentanamide
CID 171621865
ethane;(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanamide;molecular hydrogen;hydrate
CID 163276289
3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide
CID 103920702
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide
CID 106345053
4-(3-methyl-3-propoxybutoxy)pentanamide
CID 164574576
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
CID 103810722

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide?
The IUPAC name of 2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide (CID 170100793) is 2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide?
The canonical SMILES for 2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide is CC(CCC(=O)NC(C(N)=O)C(C)C)OCCC(C)(C)N.
What is the InChIKey of 2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide?
The InChIKey is HMQVCULYCLGUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-10(2)13(14(16)20)18-12(19)7-6-11(3)21-9-8-15(4,5)17/h10-11,13H,6-9,17H2,1-5H3,(H2,16,20)(H,18,19).
What are the key properties of 2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide?
2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide has a molecular weight of 301.43 g/mol, XLogP of 0.93, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide is sourced from PubChem (CID 170100793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).