N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide

C16H31N3O3 — CID 145289155

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide
SMILESCCC(C)C(=O)NCCCCCC(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C16H31N3O3/c1-5-12(4)16(22)18-10-8-6-7-9-13(20)19-14(11(2)3)15(17)21/h11-12,14H,5-10H2,1-4H3,(H2,17,21)(H,18,22)(H,19,20)
InChIKeyRLLNWUWGCZKSII-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.34
Rot. Bonds11

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide (PubChem CID 145289155) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide
PubChem CID145289155
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide
SMILESCCC(C)C(=O)NCCCCCC(=O)NC(C(N)=O)C(C)C
InChIInChI=1S/C16H31N3O3/c1-5-12(4)16(22)18-10-8-6-7-9-13(20)19-14(11(2)3)15(17)21/h11-12,14H,5-10H2,1-4H3,(H2,17,21)(H,18,22)(H,19,20)
InChIKeyRLLNWUWGCZKSII-UHFFFAOYSA-N
XLogP1.34
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-[[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2-ethylbutanoylamino)hexanamide
CID 129102432
5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
CID 106344071
7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
(2S)-3-methyl-2-(propanoylamino)butanamide
CID 90831361
3-methyl-2-(propanoylamino)butanamide
CID 22574980
(2S)-4-methyl-2-[6-(propanoylamino)hexanoylamino]pentanamide
CID 167209881
3-methyl-2-(pentanoylamino)-N-tricosylpentanamide
CID 88904969
12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 25144019
8-amino-N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[(1,6-diamino-1-oxohexan-2-yl)amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]octanamide
CID 71591729
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)dodecanamide
CID 65448032
2-(butylcarbamothioylamino)-3-methylbutanamide
CID 106344679
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide
CID 65450288

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide (CID 145289155) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide is CCC(C)C(=O)NCCCCCC(=O)NC(C(N)=O)C(C)C.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide?
The InChIKey is RLLNWUWGCZKSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-5-12(4)16(22)18-10-8-6-7-9-13(20)19-14(11(2)3)15(17)21/h11-12,14H,5-10H2,1-4H3,(H2,17,21)(H,18,22)(H,19,20).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide has a molecular weight of 313.44 g/mol, XLogP of 1.34, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(2-methylbutanoylamino)hexanamide is sourced from PubChem (CID 145289155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).