N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide

C11H21N3O3 — CID 118882583

IUPACN,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide
SMILESCCC(=O)NC(=O)N(C)C(C(=O)NC)C(C)C
InChIInChI=1S/C11H21N3O3/c1-6-8(15)13-11(17)14(5)9(7(2)3)10(16)12-4/h7,9H,6H2,1-5H3,(H,12,16)(H,13,15,17)
InChIKeyAYEXDHLJCVYEKN-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.34
Rot. Bonds4

About N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide

N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide (PubChem CID 118882583) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide
PubChem CID118882583
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC NameN,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide
SMILESCCC(=O)NC(=O)N(C)C(C(=O)NC)C(C)C
InChIInChI=1S/C11H21N3O3/c1-6-8(15)13-11(17)14(5)9(7(2)3)10(16)12-4/h7,9H,6H2,1-5H3,(H,12,16)(H,13,15,17)
InChIKeyAYEXDHLJCVYEKN-UHFFFAOYSA-N
XLogP0.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide 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

5-Isopropylhydantoin
CID 103033
(S)-2-(3,3-Dimethyl-ureido)-4-methyl-pentanoic acid (3-ethylcarbamoyl-propyl)-amide
CID 44330887
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
CID 58080388
AC1Lgxvo
CID 853633
(5R)-5-(propan-2-yl)imidazolidine-2,4-dione
CID 853634
3-Cyclopentyl-5-isopropyl-imidazolidine-2,4-dione
CID 5273848
3-Cyclohexyl-5-isopropylimidazolidine-2,4-dione
CID 5273849
L-alanyl-L-valinamide
CID 7019981
(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 10537384
(2S)-2-(tert-butylcarbamoylamino)-N-hydroxy-3-methylbutanamide
CID 50913274
(7S)-5-methyl-7-(2-methylpropyl)-1,3,5-triazepane-2,6-dione
CID 44417506

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide?
The IUPAC name of N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide (CID 118882583) is N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide.
What is the SMILES notation for N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide?
The canonical SMILES for N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide is CCC(=O)NC(=O)N(C)C(C(=O)NC)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide?
The InChIKey is AYEXDHLJCVYEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-6-8(15)13-11(17)14(5)9(7(2)3)10(16)12-4/h7,9H,6H2,1-5H3,(H,12,16)(H,13,15,17).
What are the key properties of N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide?
N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide has a molecular weight of 243.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[methyl(propanoylcarbamoyl)amino]butanamide is sourced from PubChem (CID 118882583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).