N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

C12H24N2O3 — CID 79252985

IUPACN-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)[C@@H](CO)NC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)9(7-15)14-10(16)6-13-11(17)12(3,4)5/h8-9,15H,6-7H2,1-5H3,(H,13,17)(H,14,16)/t9-/m1/s1
InChIKeyDFQHGQMOUKFCCM-SECBINFHSA-N
MW244.33 g/mol
LogP0.28
Rot. Bonds5

About N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 79252985) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID79252985
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)[C@@H](CO)NC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)9(7-15)14-10(16)6-13-11(17)12(3,4)5/h8-9,15H,6-7H2,1-5H3,(H,13,17)(H,14,16)/t9-/m1/s1
InChIKeyDFQHGQMOUKFCCM-SECBINFHSA-N
XLogP0.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide 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-[(2R)-1-hydroxy-3-methylbutan-2-yl]-2,2-dimethylpropanamide
CID 39086823
2,2-dimethyl-N-[2-[(3-methyl-2-propan-2-ylbutyl)amino]-2-oxoethyl]propanamide
CID 102914880
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79250532
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 79249834
N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 97078266
N-(1-hydroxy-3-methylbutan-2-yl)-2-(propylamino)acetamide
CID 79249827
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-(methylamino)propanamide
CID 79250627
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 103750764
3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79248825
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 79249535

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 79252985) is N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)[C@@H](CO)NC(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is DFQHGQMOUKFCCM-SECBINFHSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)9(7-15)14-10(16)6-13-11(17)12(3,4)5/h8-9,15H,6-7H2,1-5H3,(H,13,17)(H,14,16)/t9-/m1/s1.
What are the key properties of N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 244.33 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 79252985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).