N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide

C24H41NO3 — CID 10872865

IUPACN-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@@H](COC)C[C@@H](OC)c1ccccc1
InChIInChI=1S/C24H41NO3/c1-4-5-6-7-8-9-10-11-15-18-24(26)25-22(20-27-2)19-23(28-3)21-16-13-12-14-17-21/h12-14,16-17,22-23H,4-11,15,18-20H2,1-3H3,(H,25,26)/t22-,23-/m1/s1
InChIKeyJKTCYGYRVMOAFK-DHIUTWEWSA-N
MW391.60 g/mol
LogP5.82
Rot. Bonds17

About N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide

N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide (PubChem CID 10872865) has the molecular formula C24H41NO3 and a molecular weight of 391.60 g/mol. Its IUPAC name is N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide.

Molecular Properties

Compound NameN-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide
PubChem CID10872865
Molecular FormulaC24H41NO3
Molecular Weight391.60 g/mol
Exact Mass391.31
IUPAC NameN-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@@H](COC)C[C@@H](OC)c1ccccc1
InChIInChI=1S/C24H41NO3/c1-4-5-6-7-8-9-10-11-15-18-24(26)25-22(20-27-2)19-23(28-3)21-16-13-12-14-17-21/h12-14,16-17,22-23H,4-11,15,18-20H2,1-3H3,(H,25,26)/t22-,23-/m1/s1
InChIKeyJKTCYGYRVMOAFK-DHIUTWEWSA-N
XLogP5.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide?
The IUPAC name of N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide (CID 10872865) is N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide.
What is the SMILES notation for N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide?
The canonical SMILES for N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide is CCCCCCCCCCCC(=O)N[C@@H](COC)C[C@@H](OC)c1ccccc1.
What is the InChIKey of N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide?
The InChIKey is JKTCYGYRVMOAFK-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H41NO3/c1-4-5-6-7-8-9-10-11-15-18-24(26)25-22(20-27-2)19-23(28-3)21-16-13-12-14-17-21/h12-14,16-17,22-23H,4-11,15,18-20H2,1-3H3,(H,25,26)/t22-,23-/m1/s1.
What are the key properties of N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide?
N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide has a molecular weight of 391.60 g/mol, XLogP of 5.82, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-1,4-dimethoxy-4-phenylbutan-2-yl]dodecanamide is sourced from PubChem (CID 10872865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).