(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide

C14H28N2O4 — CID 25172807

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide
SMILESCC(C)CNC(=O)CCCNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C14H28N2O4/c1-10(2)8-16-11(18)6-5-7-15-13(20)12(19)14(3,4)9-17/h10,12,17,19H,5-9H2,1-4H3,(H,15,20)(H,16,18)/t12-/m0/s1
InChIKeyYONAGXAWHKLDFZ-LBPRGKRZSA-N
MW288.39 g/mol
LogP0.03
Rot. Bonds9

About (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide (PubChem CID 25172807) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide
PubChem CID25172807
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide
SMILESCC(C)CNC(=O)CCCNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C14H28N2O4/c1-10(2)8-16-11(18)6-5-7-15-13(20)12(19)14(3,4)9-17/h10,12,17,19H,5-9H2,1-4H3,(H,15,20)(H,16,18)/t12-/m0/s1
InChIKeyYONAGXAWHKLDFZ-LBPRGKRZSA-N
XLogP0.03
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide (CID 25172807) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide is CC(C)CNC(=O)CCCNC(=O)[C@H](O)C(C)(C)CO.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide?
The InChIKey is YONAGXAWHKLDFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-10(2)8-16-11(18)6-5-7-15-13(20)12(19)14(3,4)9-17/h10,12,17,19H,5-9H2,1-4H3,(H,15,20)(H,16,18)/t12-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 0.03, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(2-methylpropylamino)-4-oxobutyl]butanamide is sourced from PubChem (CID 25172807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).