N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide

C15H22N2O4 — CID 23585233

IUPACN-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide
SMILESCCC(C)c1ccc(NC(=O)C(O)C(O)C(=O)NC)cc1
InChIInChI=1S/C15H22N2O4/c1-4-9(2)10-5-7-11(8-6-10)17-15(21)13(19)12(18)14(20)16-3/h5-9,12-13,18-19H,4H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyPWZMIFSIGCTBOR-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.61
Rot. Bonds6

About N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide

N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide (PubChem CID 23585233) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide
PubChem CID23585233
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide
SMILESCCC(C)c1ccc(NC(=O)C(O)C(O)C(=O)NC)cc1
InChIInChI=1S/C15H22N2O4/c1-4-9(2)10-5-7-11(8-6-10)17-15(21)13(19)12(18)14(20)16-3/h5-9,12-13,18-19H,4H2,1-3H3,(H,16,20)(H,17,21)
InChIKeyPWZMIFSIGCTBOR-UHFFFAOYSA-N
XLogP0.61
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide 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

2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 43702131
(2S)-2-amino-N-(4-butan-2-ylphenyl)-2-phenylacetamide
CID 104897241
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide
CID 143478445
1-(4-butan-2-ylphenyl)-3-tert-butylurea
CID 6471062
(2S)-N-(4-acetamidophenyl)-2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]propanamide
CID 8834174
(2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide
CID 104907160
4-butan-2-yl-N-methylaniline
CID 22675641

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide (CID 23585233) is N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide is CCC(C)c1ccc(NC(=O)C(O)C(O)C(=O)NC)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide?
The InChIKey is PWZMIFSIGCTBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-9(2)10-5-7-11(8-6-10)17-15(21)13(19)12(18)14(20)16-3/h5-9,12-13,18-19H,4H2,1-3H3,(H,16,20)(H,17,21).
What are the key properties of N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide?
N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide has a molecular weight of 294.35 g/mol, XLogP of 0.61, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide is sourced from PubChem (CID 23585233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).