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

C15H30N2O4 — CID 25172809

IUPAC(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(3-methylbutylamino)-4-oxobutyl]butanamide
SMILESCC(C)CCNC(=O)CCCNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C15H30N2O4/c1-11(2)7-9-16-12(19)6-5-8-17-14(21)13(20)15(3,4)10-18/h11,13,18,20H,5-10H2,1-4H3,(H,16,19)(H,17,21)/t13-/m0/s1
InChIKeyDVOWDXWMFAGNDB-ZDUSSCGKSA-N
MW302.42 g/mol
LogP0.42
Rot. Bonds10

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

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(3-methylbutylamino)-4-oxobutyl]butanamide (PubChem CID 25172809) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(3-methylbutylamino)-4-oxobutyl]butanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(3-methylbutylamino)-4-oxobutyl]butanamide
PubChem CID25172809
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(3-methylbutylamino)-4-oxobutyl]butanamide
SMILESCC(C)CCNC(=O)CCCNC(=O)[C@H](O)C(C)(C)CO
InChIInChI=1S/C15H30N2O4/c1-11(2)7-9-16-12(19)6-5-8-17-14(21)13(20)15(3,4)10-18/h11,13,18,20H,5-10H2,1-4H3,(H,16,19)(H,17,21)/t13-/m0/s1
InChIKeyDVOWDXWMFAGNDB-ZDUSSCGKSA-N
XLogP0.42
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.42
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-(3-methylbutylamino)-4-oxobutyl]butanamide?
The IUPAC name of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(3-methylbutylamino)-4-oxobutyl]butanamide (CID 25172809) is (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(3-methylbutylamino)-4-oxobutyl]butanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(3-methylbutylamino)-4-oxobutyl]butanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(3-methylbutylamino)-4-oxobutyl]butanamide is CC(C)CCNC(=O)CCCNC(=O)[C@H](O)C(C)(C)CO.
What is the InChIKey of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(3-methylbutylamino)-4-oxobutyl]butanamide?
The InChIKey is DVOWDXWMFAGNDB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-11(2)7-9-16-12(19)6-5-8-17-14(21)13(20)15(3,4)10-18/h11,13,18,20H,5-10H2,1-4H3,(H,16,19)(H,17,21)/t13-/m0/s1.
What are the key properties of (2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(3-methylbutylamino)-4-oxobutyl]butanamide?
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-(3-methylbutylamino)-4-oxobutyl]butanamide has a molecular weight of 302.42 g/mol, XLogP of 0.42, 10 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-(3-methylbutylamino)-4-oxobutyl]butanamide is sourced from PubChem (CID 25172809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).