4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide

C15H29N3O3 — CID 144649100

IUPAC4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide
SMILESCCCC(C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC
InChIInChI=1S/C15H29N3O3/c1-6-7-11(4)14(20)18-12(8-10(2)3)15(21)17-9-13(19)16-5/h10-12H,6-9H2,1-5H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyXQJVLXLCJWXXHP-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.82
Rot. Bonds9

About 4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide

4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide (PubChem CID 144649100) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide
PubChem CID144649100
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide
SMILESCCCC(C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC
InChIInChI=1S/C15H29N3O3/c1-6-7-11(4)14(20)18-12(8-10(2)3)15(21)17-9-13(19)16-5/h10-12H,6-9H2,1-5H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyXQJVLXLCJWXXHP-UHFFFAOYSA-N
XLogP0.82
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
CID 80542489
4-methyl-2-[2-(methylamino)butanoylamino]-N-propylpentanamide
CID 166698451
(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 102528239
2-acetamido-4-methyl-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanamide;ethanamine;methylcyclohexane;propan-2-ol
CID 170598207
2-methyl-N-propan-2-ylpentanamide
CID 4628268
2-[(2-aminoacetyl)amino]-N-(2-hydrazinyl-2-oxoethyl)-4-methylpentanamide
CID 178118398
CID 168915455
CID 168915455
2-[[(2S)-4-methyl-2-(undecanoylamino)pentanoyl]amino]acetic acid
CID 101117017
2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 22336890
N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
CID 170598149
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide?
The IUPAC name of 4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide (CID 144649100) is 4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide.
What is the SMILES notation for 4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide?
The canonical SMILES for 4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide is CCCC(C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC.
What is the InChIKey of 4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide?
The InChIKey is XQJVLXLCJWXXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-6-7-11(4)14(20)18-12(8-10(2)3)15(21)17-9-13(19)16-5/h10-12H,6-9H2,1-5H3,(H,16,19)(H,17,21)(H,18,20).
What are the key properties of 4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide?
4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide has a molecular weight of 299.42 g/mol, XLogP of 0.82, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(methylamino)-2-oxoethyl]-2-(2-methylpentanoylamino)pentanamide is sourced from PubChem (CID 144649100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).