(3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide

C20H25NO2 — CID 7315903

IUPAC(3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(C[C@@H](C)CC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO2/c1-14-5-6-16(3)19(12-14)21-20(22)13-15(2)11-17-7-9-18(23-4)10-8-17/h5-10,12,15H,11,13H2,1-4H3,(H,21,22)/t15-/m1/s1
InChIKeyRHAZQLAHMSBRLP-OAHLLOKOSA-N
MW311.43 g/mol
LogP4.52
Rot. Bonds6

About (3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide

(3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide (PubChem CID 7315903) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
PubChem CID7315903
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(C[C@@H](C)CC(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO2/c1-14-5-6-16(3)19(12-14)21-20(22)13-15(2)11-17-7-9-18(23-4)10-8-17/h5-10,12,15H,11,13H2,1-4H3,(H,21,22)/t15-/m1/s1
InChIKeyRHAZQLAHMSBRLP-OAHLLOKOSA-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-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-3-methylbutanamide
CID 2857117
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947053
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
5-(2,5-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62965721
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 916544
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
3-amino-N-(2,5-dimethylphenyl)butanamide
CID 60835673
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
N-(2,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652754
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 46475613
N-(2,5-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]acetamide
CID 24640543
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 113121514

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of (3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide (CID 7315903) is (3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for (3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for (3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide is COc1ccc(C[C@@H](C)CC(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of (3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide?
The InChIKey is RHAZQLAHMSBRLP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-5-6-16(3)19(12-14)21-20(22)13-15(2)11-17-7-9-18(23-4)10-8-17/h5-10,12,15H,11,13H2,1-4H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide?
(3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide 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 (3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 7315903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).