(2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide

C18H29NO3 — CID 100702276

IUPAC(2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide
SMILESCCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C18H29NO3/c1-7-8-9-10-18(4,22-6)17(20)19-15-11-13(2)16(21-5)14(3)12-15/h11-12H,7-10H2,1-6H3,(H,19,20)/t18-/m1/s1
InChIKeyMEBZATSGDQEAAS-GOSISDBHSA-N
MW307.43 g/mol
LogP4.24
Rot. Bonds8

About (2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide

(2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide (PubChem CID 100702276) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide
PubChem CID100702276
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide
SMILESCCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C18H29NO3/c1-7-8-9-10-18(4,22-6)17(20)19-15-11-13(2)16(21-5)14(3)12-15/h11-12H,7-10H2,1-6H3,(H,19,20)/t18-/m1/s1
InChIKeyMEBZATSGDQEAAS-GOSISDBHSA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.24
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-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
CID 100702377
N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide
CID 133254721
N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246762
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698179
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712023
N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 133246537
(2S)-N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 100722577
N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
CID 133245973
(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 100700557
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698312

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide?
The IUPAC name of (2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide (CID 100702276) is (2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide.
What is the SMILES notation for (2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide?
The canonical SMILES for (2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide is CCCCC[C@@](C)(OC)C(=O)Nc1cc(C)c(OC)c(C)c1.
What is the InChIKey of (2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide?
The InChIKey is MEBZATSGDQEAAS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H29NO3/c1-7-8-9-10-18(4,22-6)17(20)19-15-11-13(2)16(21-5)14(3)12-15/h11-12H,7-10H2,1-6H3,(H,19,20)/t18-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide?
(2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide has a molecular weight of 307.43 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide is sourced from PubChem (CID 100702276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).