2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen

C12H30N2O2 — CID 145302166

IUPAC2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen
SMILESCC(C=O)NC(=O)C(N)C(C)C.CCCC.[H][H].[H][H]
InChIInChI=1S/C8H16N2O2.C4H10.2H2/c1-5(2)7(9)8(12)10-6(3)4-11;1-3-4-2;;/h4-7H,9H2,1-3H3,(H,10,12);3-4H2,1-2H3;2*1H
InChIKeyNCQMDUAHTHHTPL-UHFFFAOYSA-N
MW234.38 g/mol
LogP1.97
Rot. Bonds5

About 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen

2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen (PubChem CID 145302166) has the molecular formula C12H30N2O2 and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen.

Molecular Properties

Compound Name2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen
PubChem CID145302166
Molecular FormulaC12H30N2O2
Molecular Weight234.38 g/mol
Exact Mass234.23
IUPAC Name2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen
SMILESCC(C=O)NC(=O)C(N)C(C)C.CCCC.[H][H].[H][H]
InChIInChI=1S/C8H16N2O2.C4H10.2H2/c1-5(2)7(9)8(12)10-6(3)4-11;1-3-4-2;;/h4-7H,9H2,1-3H3,(H,10,12);3-4H2,1-2H3;2*1H
InChIKeyNCQMDUAHTHHTPL-UHFFFAOYSA-N
XLogP1.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen 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

2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;ethane;molecular hydrogen;propane
CID 144975391
(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 138857478
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide
CID 56637055
ethane;N-(1-oxopropan-2-yl)-2-(propylamino)propanamide
CID 142449079
(2R)-2-amino-3-methyl-N-[(3S)-2-oxohexan-3-yl]butanamide
CID 59277979
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
(2S)-2-amino-3-methyl-N-[(2S)-4-methylsulfanyl-1-oxobutan-2-yl]butanamide
CID 54091768
2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide
CID 123597331
(2R)-2-amino-3-methyl-N-[(3S)-2-methyl-4-oxohexan-3-yl]butanamide
CID 155089118
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 61154394
2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
CID 11949429

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen?
The IUPAC name of 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen (CID 145302166) is 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen.
What is the SMILES notation for 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen?
The canonical SMILES for 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen is CC(C=O)NC(=O)C(N)C(C)C.CCCC.[H][H].[H][H].
What is the InChIKey of 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen?
The InChIKey is NCQMDUAHTHHTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.C4H10.2H2/c1-5(2)7(9)8(12)10-6(3)4-11;1-3-4-2;;/h4-7H,9H2,1-3H3,(H,10,12);3-4H2,1-2H3;2*1H.
What are the key properties of 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen?
2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen has a molecular weight of 234.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen is sourced from PubChem (CID 145302166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).