4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide

C23H31NO2 — CID 100715050

IUPAC4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C(C)C
InChIInChI=1S/C23H31NO2/c1-15(2)12-21(18-10-8-7-9-11-18)24-23(25)20-14-19(16(3)4)22(26-6)13-17(20)5/h7-11,13-16,21H,12H2,1-6H3,(H,24,25)/t21-/m0/s1
InChIKeySHRSKMNWZQVLMI-NRFANRHFSA-N
MW353.51 g/mol
LogP5.64
Rot. Bonds7

About 4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide

4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide (PubChem CID 100715050) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide
PubChem CID100715050
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C(C)C
InChIInChI=1S/C23H31NO2/c1-15(2)12-21(18-10-8-7-9-11-18)24-23(25)20-14-19(16(3)4)22(26-6)13-17(20)5/h7-11,13-16,21H,12H2,1-6H3,(H,24,25)/t21-/m0/s1
InChIKeySHRSKMNWZQVLMI-NRFANRHFSA-N
XLogP5.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
4,5-dimethoxy-2-methyl-N-(1-phenylpropyl)benzamide
CID 56728755
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716496
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
5-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbenzamide;hydrochloride
CID 120638250
4-methoxy-2-methyl-N-(2-methylpropyl)-5-propan-2-ylbenzamide
CID 83405819
N-(2-acetamidoethyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 110761820
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716738
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide (CID 100715050) is 4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide is COc1cc(C)c(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide?
The InChIKey is SHRSKMNWZQVLMI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H31NO2/c1-15(2)12-21(18-10-8-7-9-11-18)24-23(25)20-14-19(16(3)4)22(26-6)13-17(20)5/h7-11,13-16,21H,12H2,1-6H3,(H,24,25)/t21-/m0/s1.
What are the key properties of 4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide?
4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide has a molecular weight of 353.51 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide is sourced from PubChem (CID 100715050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).