N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

C12H24N2O3 — CID 97078266

IUPACN-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)[C@@H](O)CNC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)9(15)6-13-10(16)7-14-11(17)12(3,4)5/h8-9,15H,6-7H2,1-5H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeyNOTAYCXMPSCZAQ-VIFPVBQESA-N
MW244.33 g/mol
LogP0.28
Rot. Bonds5

About N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 97078266) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID97078266
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)[C@@H](O)CNC(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-8(2)9(15)6-13-10(16)7-14-11(17)12(3,4)5/h8-9,15H,6-7H2,1-5H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeyNOTAYCXMPSCZAQ-VIFPVBQESA-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

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Related Compounds

2,2-dimethyl-N-[2-[(3-methyl-2-propan-2-ylbutyl)amino]-2-oxoethyl]propanamide
CID 102914880
2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide
CID 103723244
N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
3-[[[2-(2,2-dimethylpropanoylamino)acetyl]amino]methyl]-5-methylhexanoic acid
CID 65493920
N-[2-[(2-hydroxy-2-phenylethyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 43416331
N-[2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 79252985
N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014441
2-bromo-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 82109644
2-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744584
(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
2,2-dimethyl-N-[(2S)-2,4,4-trimethyl-3-oxopentyl]propanamide
CID 166979510

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 97078266) is N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)[C@@H](O)CNC(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is NOTAYCXMPSCZAQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)9(15)6-13-10(16)7-14-11(17)12(3,4)5/h8-9,15H,6-7H2,1-5H3,(H,13,16)(H,14,17)/t9-/m0/s1.
What are the key properties of N-[2-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[[(2R)-2-hydroxy-3-methylbutyl]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-[[(2R)-2-hydroxy-3-methylbutyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 97078266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).