(2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide

C17H27NO3 — CID 100699590

IUPAC(2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide
SMILESCCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-6-7-12-17(4,20-5)16(19)18-14-8-10-15(11-9-14)21-13(2)3/h8-11,13H,6-7,12H2,1-5H3,(H,18,19)/t17-/m0/s1
InChIKeyUWRJWPVBIACJTJ-KRWDZBQOSA-N
MW293.41 g/mol
LogP4.01
Rot. Bonds8

About (2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide

(2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide (PubChem CID 100699590) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide
PubChem CID100699590
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide
SMILESCCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H27NO3/c1-6-7-12-17(4,20-5)16(19)18-14-8-10-15(11-9-14)21-13(2)3/h8-11,13H,6-7,12H2,1-5H3,(H,18,19)/t17-/m0/s1
InChIKeyUWRJWPVBIACJTJ-KRWDZBQOSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133167167
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
(2S)-N-(3-cyano-4-propan-2-yloxyphenyl)-2-methoxy-2-methylhexanamide
CID 100754949
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133246014
2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 133203827
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 133246040
N-(3-cyano-4-propan-2-yloxyphenyl)-2-methoxy-2-methylheptanamide
CID 133229855
(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
(2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100701491
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide?
The IUPAC name of (2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide (CID 100699590) is (2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide.
What is the SMILES notation for (2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide?
The canonical SMILES for (2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide is CCCC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of (2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide?
The InChIKey is UWRJWPVBIACJTJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-7-12-17(4,20-5)16(19)18-14-8-10-15(11-9-14)21-13(2)3/h8-11,13H,6-7,12H2,1-5H3,(H,18,19)/t17-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide?
(2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide has a molecular weight of 293.41 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide is sourced from PubChem (CID 100699590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).