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

C20H25NO2 — CID 43916366

IUPACN-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C20H25NO2/c1-14(2)12-19(16-8-10-18(23-4)11-9-16)21-20(22)17-7-5-6-15(3)13-17/h5-11,13-14,19H,12H2,1-4H3,(H,21,22)
InChIKeyYRRTUZAKCBHONR-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.52
Rot. Bonds6

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

N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide (PubChem CID 43916366) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
PubChem CID43916366
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C20H25NO2/c1-14(2)12-19(16-8-10-18(23-4)11-9-16)21-20(22)17-7-5-6-15(3)13-17/h5-11,13-14,19H,12H2,1-4H3,(H,21,22)
InChIKeyYRRTUZAKCBHONR-UHFFFAOYSA-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

3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoic acid
CID 3369154
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 38002269
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
ethyl (3S)-3-(4-methoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310542
3-(methanesulfonamido)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 28566637
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(2-methylprop-2-enoxy)benzamide
CID 132655047
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 100613058
4-iodo-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 43875821
1-[1-(4-methoxyphenyl)-3-methylbutyl]-3-(3-methylphenyl)thiourea
CID 133215619
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132616821

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide (CID 43916366) is N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide is COc1ccc(C(CC(C)C)NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide?
The InChIKey is YRRTUZAKCBHONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14(2)12-19(16-8-10-18(23-4)11-9-16)21-20(22)17-7-5-6-15(3)13-17/h5-11,13-14,19H,12H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide?
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-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-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide is sourced from PubChem (CID 43916366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).