N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide

C20H25NO2 — CID 28631733

IUPACN-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO2/c1-14(2)13-19(16-9-11-18(23-4)12-10-16)21-20(22)17-7-5-15(3)6-8-17/h5-12,14,19H,13H2,1-4H3,(H,21,22)/t19-/m0/s1
InChIKeyMRHILFAENOXRLF-IBGZPJMESA-N
MW311.43 g/mol
LogP4.52
Rot. Bonds6

About N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide

N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide (PubChem CID 28631733) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
PubChem CID28631733
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO2/c1-14(2)13-19(16-9-11-18(23-4)12-10-16)21-20(22)17-7-5-15(3)6-8-17/h5-12,14,19H,13H2,1-4H3,(H,21,22)/t19-/m0/s1
InChIKeyMRHILFAENOXRLF-IBGZPJMESA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132616821
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 100613058
4-[dimethylsulfamoyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 92673224
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylacetamide
CID 93486915
(2S)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 94012975
4-(imidazol-1-ylmethyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46776651

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide (CID 28631733) is N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide is COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide?
The InChIKey is MRHILFAENOXRLF-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO2/c1-14(2)13-19(16-9-11-18(23-4)12-10-16)21-20(22)17-7-5-15(3)6-8-17/h5-12,14,19H,13H2,1-4H3,(H,21,22)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide?
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide is sourced from PubChem (CID 28631733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).