(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide

C22H37NO3 — CID 100739252

IUPAC(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
SMILESCCCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1
InChIInChI=1S/C22H37NO3/c1-9-10-26-22(8,13-15(2)3)21(24)23-19-11-17(6)20(18(7)12-19)25-14-16(4)5/h11-12,15-16H,9-10,13-14H2,1-8H3,(H,23,24)/t22-/m1/s1
InChIKeyCLRUJSVLQIHWRL-JOCHJYFZSA-N
MW363.54 g/mol
LogP5.51
Rot. Bonds10

About (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide

(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide (PubChem CID 100739252) has the molecular formula C22H37NO3 and a molecular weight of 363.54 g/mol. Its IUPAC name is (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide.

Molecular Properties

Compound Name(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
PubChem CID100739252
Molecular FormulaC22H37NO3
Molecular Weight363.54 g/mol
Exact Mass363.28
IUPAC Name(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
SMILESCCCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1
InChIInChI=1S/C22H37NO3/c1-9-10-26-22(8,13-15(2)3)21(24)23-19-11-17(6)20(18(7)12-19)25-14-16(4)5/h11-12,15-16H,9-10,13-14H2,1-8H3,(H,23,24)/t22-/m1/s1
InChIKeyCLRUJSVLQIHWRL-JOCHJYFZSA-N
XLogP5.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.54
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide with MolForge

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Related Compounds

(2R)-N-(4-methoxy-3,5-dimethylphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100739126
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712023
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924
N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100741200
(2R)-N-(6-methoxy-5-methyl-3-pyridinyl)-2,4-dimethyl-2-propoxypentanamide
CID 100777758
(2R)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696250
(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696262
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133246592
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699350
(2R)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764728
(2S)-N-[3-cyano-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100764723
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide?
The IUPAC name of (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide (CID 100739252) is (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide.
What is the SMILES notation for (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide?
The canonical SMILES for (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide is CCCO[C@](C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1.
What is the InChIKey of (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide?
The InChIKey is CLRUJSVLQIHWRL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H37NO3/c1-9-10-26-22(8,13-15(2)3)21(24)23-19-11-17(6)20(18(7)12-19)25-14-16(4)5/h11-12,15-16H,9-10,13-14H2,1-8H3,(H,23,24)/t22-/m1/s1.
What are the key properties of (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide?
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide has a molecular weight of 363.54 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide is sourced from PubChem (CID 100739252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).