N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane

C12H27N3O2 — CID 162738491

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane
SMILESCC.CNC(C(=O)NCC(=O)N(C)C)C(C)C
InChIInChI=1S/C10H21N3O2.C2H6/c1-7(2)9(11-3)10(15)12-6-8(14)13(4)5;1-2/h7,9,11H,6H2,1-5H3,(H,12,15);1-2H3
InChIKeyFWAITOTZUYZHAD-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.46
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane

N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane (PubChem CID 162738491) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane
PubChem CID162738491
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane
SMILESCC.CNC(C(=O)NCC(=O)N(C)C)C(C)C
InChIInChI=1S/C10H21N3O2.C2H6/c1-7(2)9(11-3)10(15)12-6-8(14)13(4)5;1-2/h7,9,11H,6H2,1-5H3,(H,12,15);1-2H3
InChIKeyFWAITOTZUYZHAD-UHFFFAOYSA-N
XLogP0.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane 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-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide
CID 129041586
(2S)-3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide
CID 169195729
2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468179
N-[2-[[(3R,5S)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(methylamino)butanamide
CID 170042358
(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 145135261
3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide
CID 154976995
ethane;formamide;3-methyl-2-(methylamino)-N-(3-methyl-2-oxobutyl)butanamide;N-methylpropan-1-amine
CID 156850261
2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide
CID 143361850
2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide
CID 43311123
5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
CID 62963822
(3R)-N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethylhexanamide
CID 95211996
ethane;3-methyl-2-(methylamino)-N-[2-[4-(methylaminomethyl)anilino]-2-oxoethyl]butanamide
CID 163289881

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane (CID 162738491) is N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane is CC.CNC(C(=O)NCC(=O)N(C)C)C(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane?
The InChIKey is FWAITOTZUYZHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2.C2H6/c1-7(2)9(11-3)10(15)12-6-8(14)13(4)5;1-2/h7,9,11H,6H2,1-5H3,(H,12,15);1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane?
N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane has a molecular weight of 245.37 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane is sourced from PubChem (CID 162738491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).