2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide

C13H27N3O2 — CID 115426173

IUPAC2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(=O)C(C)(C)CN)C(=O)N(C)C
InChIInChI=1S/C13H27N3O2/c1-9(2)7-10(11(17)16(5)6)15-12(18)13(3,4)8-14/h9-10H,7-8,14H2,1-6H3,(H,15,18)
InChIKeyUHOUUECOFUMPEN-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.59
Rot. Bonds6

About 2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide

2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide (PubChem CID 115426173) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide
PubChem CID115426173
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide
SMILESCC(C)CC(NC(=O)C(C)(C)CN)C(=O)N(C)C
InChIInChI=1S/C13H27N3O2/c1-9(2)7-10(11(17)16(5)6)15-12(18)13(3,4)8-14/h9-10H,7-8,14H2,1-6H3,(H,15,18)
InChIKeyUHOUUECOFUMPEN-UHFFFAOYSA-N
XLogP0.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide
CID 103928611
2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699929
2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699936
2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 61068823
5-[[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62934393
3-amino-2,2-dimethyl-N-(5-methylhexan-2-yl)propanamide
CID 63925891
4-(aminomethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43699907
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide
CID 62852895
4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 60846944
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 78975690
2-(5-bromopentanoylamino)-N,N,4-trimethylpentanamide
CID 107908629
2-[[2-(1-aminocyclohexyl)acetyl]amino]-N,N,4-trimethylpentanamide
CID 64685004

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide (CID 115426173) is 2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide is CC(C)CC(NC(=O)C(C)(C)CN)C(=O)N(C)C.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide?
The InChIKey is UHOUUECOFUMPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-9(2)7-10(11(17)16(5)6)15-12(18)13(3,4)8-14/h9-10H,7-8,14H2,1-6H3,(H,15,18).
What are the key properties of 2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide?
2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide has a molecular weight of 257.38 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide is sourced from PubChem (CID 115426173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).