(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide

C17H27NO3 — CID 100701232

IUPAC(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
SMILESCCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C17H27NO3/c1-5-7-8-13-17(3,20-4)16(19)18-14-9-11-15(12-10-14)21-6-2/h9-12H,5-8,13H2,1-4H3,(H,18,19)/t17-/m0/s1
InChIKeyKRPBUPKJMNEJTG-KRWDZBQOSA-N
MW293.41 g/mol
LogP4.01
Rot. Bonds9

About (2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide

(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide (PubChem CID 100701232) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
PubChem CID100701232
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
SMILESCCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C17H27NO3/c1-5-7-8-13-17(3,20-4)16(19)18-14-9-11-15(12-10-14)21-6-2/h9-12H,5-8,13H2,1-4H3,(H,18,19)/t17-/m0/s1
InChIKeyKRPBUPKJMNEJTG-KRWDZBQOSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100701491
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133167167
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133246014
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823
(2S)-2-methoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100701949
(2R)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701698
(2R)-2-methoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701546
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 133245970
(2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide
CID 100699590
2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid
CID 100696982

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide?
The IUPAC name of (2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide (CID 100701232) is (2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide.
What is the SMILES notation for (2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide?
The canonical SMILES for (2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide is CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of (2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide?
The InChIKey is KRPBUPKJMNEJTG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-7-8-13-17(3,20-4)16(19)18-14-9-11-15(12-10-14)21-6-2/h9-12H,5-8,13H2,1-4H3,(H,18,19)/t17-/m0/s1.
What are the key properties of (2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide?
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide has a molecular weight of 293.41 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide is sourced from PubChem (CID 100701232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).