(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide

C18H29NO3 — CID 100724348

IUPAC(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide
SMILESCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C18H29NO3/c1-6-12-18(5,22-7-2)17(20)19-15-8-10-16(11-9-15)21-13-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3,(H,19,20)/t18-/m1/s1
InChIKeyHVJKXYBUVQMPBV-GOSISDBHSA-N
MW307.43 g/mol
LogP4.26
Rot. Bonds9

About (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide

(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide (PubChem CID 100724348) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide
PubChem CID100724348
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide
SMILESCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C18H29NO3/c1-6-12-18(5,22-7-2)17(20)19-15-8-10-16(11-9-15)21-13-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3,(H,19,20)/t18-/m1/s1
InChIKeyHVJKXYBUVQMPBV-GOSISDBHSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide
CID 100710857
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
CID 100722896
(2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide
CID 100724805
2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide
CID 100725725
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2,4-dimethylpentanamide
CID 133246574
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726828
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726840
(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
CID 100726485
2-ethoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pentanamide
CID 133246624
methyl 5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100760715
(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide
CID 100728845

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide?
The IUPAC name of (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide (CID 100724348) is (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide?
The canonical SMILES for (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide is CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)cc1.
What is the InChIKey of (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide?
The InChIKey is HVJKXYBUVQMPBV-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29NO3/c1-6-12-18(5,22-7-2)17(20)19-15-8-10-16(11-9-15)21-13-14(3)4/h8-11,14H,6-7,12-13H2,1-5H3,(H,19,20)/t18-/m1/s1.
What are the key properties of (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide?
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide has a molecular weight of 307.43 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide is sourced from PubChem (CID 100724348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).