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

C17H27NO3 — CID 100710857

IUPAC(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide
SMILESCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-6-17(5,21-7-2)16(19)18-14-8-10-15(11-9-14)20-12-13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,18,19)/t17-/m1/s1
InChIKeyPATIQGQNHPYUGO-QGZVFWFLSA-N
MW293.41 g/mol
LogP3.87
Rot. Bonds8

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

(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide (PubChem CID 100710857) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide
PubChem CID100710857
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide
SMILESCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-6-17(5,21-7-2)16(19)18-14-8-10-15(11-9-14)20-12-13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,18,19)/t17-/m1/s1
InChIKeyPATIQGQNHPYUGO-QGZVFWFLSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide
CID 100724348
N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133246278
2-ethoxy-4-methyl-N-[4-(2-methylpropoxy)phenyl]-2-(2-methylpropyl)pentanamide
CID 100725725
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
CID 100722896
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2,4-dimethylpentanamide
CID 133246574
ethyl 5-[[(2S)-2-ethoxy-2-methylbutanoyl]amino]-2-(2-methylpropoxy)benzoate
CID 100759028
(2R)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722919
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722911
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]butanamide
CID 133246297
2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 133203827
2-ethoxy-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]butanamide
CID 133246288
2-[4-[(2-methyl-2-propoxybutanoyl)amino]phenoxy]acetic acid
CID 133246947

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide?
The IUPAC name of (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide (CID 100710857) is (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide.
What is the SMILES notation for (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide?
The canonical SMILES for (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide is CCO[C@](C)(CC)C(=O)Nc1ccc(OCC(C)C)cc1.
What is the InChIKey of (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide?
The InChIKey is PATIQGQNHPYUGO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-17(5,21-7-2)16(19)18-14-8-10-15(11-9-14)20-12-13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,18,19)/t17-/m1/s1.
What are the key properties of (2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide?
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]butanamide has a molecular weight of 293.41 g/mol, XLogP of 3.87, 8 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]butanamide is sourced from PubChem (CID 100710857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).