2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide

C8H17N3O2 — CID 121479390

IUPAC2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(C(C)C)N(C)C(N)=O
InChIInChI=1S/C8H17N3O2/c1-5(2)6(7(12)10-3)11(4)8(9)13/h5-6H,1-4H3,(H2,9,13)(H,10,12)
InChIKeyZMERPPWEQZOLSL-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.23
Rot. Bonds3

About 2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide

2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide (PubChem CID 121479390) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide
PubChem CID121479390
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide
SMILESCNC(=O)C(C(C)C)N(C)C(N)=O
InChIInChI=1S/C8H17N3O2/c1-5(2)6(7(12)10-3)11(4)8(9)13/h5-6H,1-4H3,(H2,9,13)(H,10,12)
InChIKeyZMERPPWEQZOLSL-UHFFFAOYSA-N
XLogP-0.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide 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

(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
(S)-2-(3,3-Dimethyl-ureido)-4-methyl-pentanoic acid (3-ethylcarbamoyl-propyl)-amide
CID 44330887
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
Cyclo-L-Val-L-Val
CID 637596
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
CID 58080388
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
CID 10612186
1-Ethyl-3-[1-oxo-1-(1,4,7,10-tetrazacyclododec-1-yl)propan-2-yl]urea
CID 44613717
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
Valylvaline anhydride
CID 519728

Frequently Asked Questions

What is the IUPAC name of 2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide?
The IUPAC name of 2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide (CID 121479390) is 2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide?
The canonical SMILES for 2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide is CNC(=O)C(C(C)C)N(C)C(N)=O.
What is the InChIKey of 2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide?
The InChIKey is ZMERPPWEQZOLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-5(2)6(7(12)10-3)11(4)8(9)13/h5-6H,1-4H3,(H2,9,13)(H,10,12).
What are the key properties of 2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide?
2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide has a molecular weight of 187.24 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carbamoyl(methyl)amino]-N,3-dimethylbutanamide is sourced from PubChem (CID 121479390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).