4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide

C16H33N3O3 — CID 171653877

IUPAC4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)C(NC(=O)CC(C)(C)COCC(C)(C)CN)C(N)=O
InChIInChI=1S/C16H33N3O3/c1-11(2)13(14(18)21)19-12(20)7-15(3,4)9-22-10-16(5,6)8-17/h11,13H,7-10,17H2,1-6H3,(H2,18,21)(H,19,20)
InChIKeyLYUNXAKMLNVAHD-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.03
Rot. Bonds10

About 4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide

4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide (PubChem CID 171653877) has the molecular formula C16H33N3O3 and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide
PubChem CID171653877
Molecular FormulaC16H33N3O3
Molecular Weight315.46 g/mol
Exact Mass315.25
IUPAC Name4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide
SMILESCC(C)C(NC(=O)CC(C)(C)COCC(C)(C)CN)C(N)=O
InChIInChI=1S/C16H33N3O3/c1-11(2)13(14(18)21)19-12(20)7-15(3,4)9-22-10-16(5,6)8-17/h11,13H,7-10,17H2,1-6H3,(H2,18,21)(H,19,20)
InChIKeyLYUNXAKMLNVAHD-UHFFFAOYSA-N
XLogP1.03
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide with MolForge

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Related Compounds

(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
N-[3-(3-amino-2,2-dimethylpropoxy)-2,2-dimethylpropyl]-4-methoxy-3,3-dimethylbutanamide
CID 170012588
4-(2,2-dimethylpentoxy)-3,3-dimethyl-N-propan-2-ylbutanamide
CID 178168451
2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide
CID 106345043
tert-butyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 11367915
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbutanamide
CID 106344659
(3-amino-2,2-dimethylpropyl) 2-methylpropanoate
CID 20523360
2-[4-(3-amino-3-methylbutoxy)pentanoylamino]-3-methylbutanamide
CID 170100793
2-[(2-bromo-2-methylpropanoyl)amino]-3-methylbutanamide
CID 106344655
3,3-dimethyl-N-[(3R)-2-methyl-4-oxopentan-3-yl]butanamide
CID 142180452
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 106346897

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of 4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide (CID 171653877) is 4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for 4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for 4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide is CC(C)C(NC(=O)CC(C)(C)COCC(C)(C)CN)C(N)=O.
What is the InChIKey of 4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide?
The InChIKey is LYUNXAKMLNVAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O3/c1-11(2)13(14(18)21)19-12(20)7-15(3,4)9-22-10-16(5,6)8-17/h11,13H,7-10,17H2,1-6H3,(H2,18,21)(H,19,20).
What are the key properties of 4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide?
4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide has a molecular weight of 315.46 g/mol, XLogP of 1.03, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2,2-dimethylpropoxy)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 171653877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).