4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide

C21H27NO2 — CID 17093762

IUPAC4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-15(2)13-14-24-18-11-9-17(10-12-18)21(23)22-20-8-6-5-7-19(20)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,22,23)
InChIKeySWZDHXMHBHOYNA-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.49
Rot. Bonds7

About 4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide

4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 17093762) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide
PubChem CID17093762
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide
SMILESCC(C)CCOc1ccc(C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-15(2)13-14-24-18-11-9-17(10-12-18)21(23)22-20-8-6-5-7-19(20)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,22,23)
InChIKeySWZDHXMHBHOYNA-UHFFFAOYSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propan-2-ylphenyl)-4-propoxybenzamide
CID 6463952
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
1-N-(4-methoxyphenyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049815
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 959904
4-pentoxy-N-[(2-propan-2-ylphenyl)carbamothioyl]benzamide
CID 17094051
4-(3-methylbutoxy)-N-(2-methyl-3-nitrophenyl)benzamide
CID 4948152
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-propan-2-ylphenyl)benzamide
CID 2466288
N-[2-(1-aminoethyl)phenyl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 166090227
1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109045330
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide (CID 17093762) is 4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide is CC(C)CCOc1ccc(C(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is SWZDHXMHBHOYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-15(2)13-14-24-18-11-9-17(10-12-18)21(23)22-20-8-6-5-7-19(20)16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,22,23).
What are the key properties of 4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide?
4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 325.45 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 17093762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).