(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide

C18H29NO3 — CID 100742668

IUPAC(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H29NO3/c1-5-7-8-13-18(3,22-14-6-2)17(20)19-15-9-11-16(21-4)12-10-15/h9-12H,5-8,13-14H2,1-4H3,(H,19,20)/t18-/m1/s1
InChIKeyASHLXJHLYRWZKK-GOSISDBHSA-N
MW307.43 g/mol
LogP4.40
Rot. Bonds10

About (2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide

(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide (PubChem CID 100742668) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
PubChem CID100742668
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
SMILESCCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C18H29NO3/c1-5-7-8-13-18(3,22-14-6-2)17(20)19-15-9-11-16(21-4)12-10-15/h9-12H,5-8,13-14H2,1-4H3,(H,19,20)/t18-/m1/s1
InChIKeyASHLXJHLYRWZKK-GOSISDBHSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.40
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)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
CID 100726485
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 133205936
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
N-(6-methoxy-3-pyridinyl)-2-methyl-2-propoxyhexanamide
CID 133205912
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823
(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778152
N-(3-cyano-4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 133205393
(2S)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100743201
2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)hexanamide
CID 133205914
(2S)-2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)hexanamide
CID 100778007
(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide
CID 100728845

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide (CID 100742668) is (2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide is CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide?
The InChIKey is ASHLXJHLYRWZKK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29NO3/c1-5-7-8-13-18(3,22-14-6-2)17(20)19-15-9-11-16(21-4)12-10-15/h9-12H,5-8,13-14H2,1-4H3,(H,19,20)/t18-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide?
(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide has a molecular weight of 307.43 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide is sourced from PubChem (CID 100742668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).