N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide

C20H25NO3 — CID 2669248

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCC[C@H](C)c1ccccc1NC(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C20H25NO3/c1-6-13(2)16-9-7-8-10-17(16)21-20(22)15-11-18(23-4)14(3)19(12-15)24-5/h7-13H,6H2,1-5H3,(H,21,22)/t13-/m0/s1
InChIKeyZCRCBSXTAQCHAV-ZDUSSCGKSA-N
MW327.42 g/mol
LogP4.78
Rot. Bonds6

About N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide

N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 2669248) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID2669248
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCC[C@H](C)c1ccccc1NC(=O)c1cc(OC)c(C)c(OC)c1
InChIInChI=1S/C20H25NO3/c1-6-13(2)16-9-7-8-10-17(16)21-20(22)15-11-18(23-4)14(3)19(12-15)24-5/h7-13H,6H2,1-5H3,(H,21,22)/t13-/m0/s1
InChIKeyZCRCBSXTAQCHAV-ZDUSSCGKSA-N
XLogP4.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
CID 2670800
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-3,5-dimethylbenzamide
CID 918771
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 959904
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
N-(2-butan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3725070
N-[[2-[(2R)-butan-2-yl]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 40654739
N-[2-[(2R)-butan-2-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2670812
3,5-dimethoxy-4-methyl-N-[2-(methylaminomethyl)phenyl]benzamide;hydrochloride
CID 119437963
[4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate
CID 41121356

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide (CID 2669248) is N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide is CC[C@H](C)c1ccccc1NC(=O)c1cc(OC)c(C)c(OC)c1.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is ZCRCBSXTAQCHAV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H25NO3/c1-6-13(2)16-9-7-8-10-17(16)21-20(22)15-11-18(23-4)14(3)19(12-15)24-5/h7-13H,6H2,1-5H3,(H,21,22)/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide?
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 327.42 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 2669248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).