N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

C15H30N2O7 — CID 59125202

IUPACN-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)C(O)C(=O)NCC(O)CNC(=O)C(O)C(C)(C)CO
InChIInChI=1S/C15H30N2O7/c1-14(2,7-18)10(21)12(23)16-5-9(20)6-17-13(24)11(22)15(3,4)8-19/h9-11,18-22H,5-8H2,1-4H3,(H,16,23)(H,17,24)
InChIKeyGWQADFNFVXIUSM-UHFFFAOYSA-N
MW350.41 g/mol
LogP-2.66
Rot. Bonds10

About N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 59125202) has the molecular formula C15H30N2O7 and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID59125202
Molecular FormulaC15H30N2O7
Molecular Weight350.41 g/mol
Exact Mass350.21
IUPAC NameN-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)C(O)C(=O)NCC(O)CNC(=O)C(O)C(C)(C)CO
InChIInChI=1S/C15H30N2O7/c1-14(2,7-18)10(21)12(23)16-5-9(20)6-17-13(24)11(22)15(3,4)8-19/h9-11,18-22H,5-8H2,1-4H3,(H,16,23)(H,17,24)
InChIKeyGWQADFNFVXIUSM-UHFFFAOYSA-N
XLogP-2.66
TPSA159.35 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 5-2.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide with MolForge

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Related Compounds

N-(3,3-dihydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 142091533
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](1,2,3-13C3)propanoic acid
CID 170898855
(2R)-N-(3-dimethylsilyl-3-hydroxypropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 154344563
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;gold
CID 176912960
(2S)-N-(3-amino-3-oxopropyl)-2,4-dihydroxy-3,3-dimethylbutanamide
CID 59125211
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydrochloride
CID 155803311
3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoic acid;phosphane
CID 174763260
CID 172837539
CID 172837539
3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
CID 6997253
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 25171160
(2R)-2,4-dihydroxy-3,3-dimethylbutanehydrazide
CID 818715

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide (CID 59125202) is N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide is CC(C)(CO)C(O)C(=O)NCC(O)CNC(=O)C(O)C(C)(C)CO.
What is the InChIKey of N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is GWQADFNFVXIUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O7/c1-14(2,7-18)10(21)12(23)16-5-9(20)6-17-13(24)11(22)15(3,4)8-19/h9-11,18-22H,5-8H2,1-4H3,(H,16,23)(H,17,24).
What are the key properties of N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 350.41 g/mol, XLogP of -2.66, 10 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxypropyl]-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 59125202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).