(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide

C16H25NO3 — CID 100696786

IUPAC(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
SMILESCCCOc1ccc(NC(=O)[C@](C)(CCC)OC)cc1
InChIInChI=1S/C16H25NO3/c1-5-11-16(3,19-4)15(18)17-13-7-9-14(10-8-13)20-12-6-2/h7-10H,5-6,11-12H2,1-4H3,(H,17,18)/t16-/m0/s1
InChIKeyJITYQPQVJUXROO-INIZCTEOSA-N
MW279.38 g/mol
LogP3.62
Rot. Bonds8

About (2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide

(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide (PubChem CID 100696786) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
PubChem CID100696786
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
SMILESCCCOc1ccc(NC(=O)[C@](C)(CCC)OC)cc1
InChIInChI=1S/C16H25NO3/c1-5-11-16(3,19-4)15(18)17-13-7-9-14(10-8-13)20-12-6-2/h7-10H,5-6,11-12H2,1-4H3,(H,17,18)/t16-/m0/s1
InChIKeyJITYQPQVJUXROO-INIZCTEOSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 100697214
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 133245970
2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid
CID 100696982
N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide
CID 133245961
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-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100697324
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133167167
(2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide
CID 100696968
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide?
The IUPAC name of (2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide (CID 100696786) is (2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide.
What is the SMILES notation for (2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide?
The canonical SMILES for (2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide is CCCOc1ccc(NC(=O)[C@](C)(CCC)OC)cc1.
What is the InChIKey of (2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide?
The InChIKey is JITYQPQVJUXROO-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-11-16(3,19-4)15(18)17-13-7-9-14(10-8-13)20-12-6-2/h7-10H,5-6,11-12H2,1-4H3,(H,17,18)/t16-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide?
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide has a molecular weight of 279.38 g/mol, XLogP of 3.62, 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-propoxyphenyl)pentanamide is sourced from PubChem (CID 100696786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).