N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide

C12H25NO3 — CID 58124320

IUPACN-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NCC(O)CO)C(C)(C)C
InChIInChI=1S/C12H25NO3/c1-8(2)10(12(3,4)5)11(16)13-6-9(15)7-14/h8-10,14-15H,6-7H2,1-5H3,(H,13,16)
InChIKeyUFQHRIQOPHGNFX-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.77
Rot. Bonds5

About N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide

N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 58124320) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID58124320
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC NameN-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NCC(O)CO)C(C)(C)C
InChIInChI=1S/C12H25NO3/c1-8(2)10(12(3,4)5)11(16)13-6-9(15)7-14/h8-10,14-15H,6-7H2,1-5H3,(H,13,16)
InChIKeyUFQHRIQOPHGNFX-UHFFFAOYSA-N
XLogP0.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide (CID 58124320) is N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)NCC(O)CO)C(C)(C)C.
What is the InChIKey of N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is UFQHRIQOPHGNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-8(2)10(12(3,4)5)11(16)13-6-9(15)7-14/h8-10,14-15H,6-7H2,1-5H3,(H,13,16).
What are the key properties of N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 231.34 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-3,3-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 58124320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).