5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide

C22H23NO2 — CID 4537752

IUPAC5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)o2)cc1C
InChIInChI=1S/C22H23NO2/c1-14(2)17-7-9-19(10-8-17)23-22(24)21-12-11-20(25-21)18-6-5-15(3)16(4)13-18/h5-14H,1-4H3,(H,23,24)
InChIKeyCMQQPMXCRJQCKP-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.94
Rot. Bonds4

About 5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide

5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide (PubChem CID 4537752) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
PubChem CID4537752
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)o2)cc1C
InChIInChI=1S/C22H23NO2/c1-14(2)17-7-9-19(10-8-17)23-22(24)21-12-11-20(25-21)18-6-5-15(3)16(4)13-18/h5-14H,1-4H3,(H,23,24)
InChIKeyCMQQPMXCRJQCKP-UHFFFAOYSA-N
XLogP5.94
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(3,4-dimethylphenyl)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 4271036
5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 4600572
N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4281117
N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3628910
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 4002543
4-[[5-(3-chloro-4-methylphenyl)furan-2-carbonyl]amino]benzoic acid
CID 28914790
N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 177358680
N-[(4-chlorophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3913723
5-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688533
N-dibenzofuran-3-yl-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3556398
5-(3,4-dimethylphenyl)-N-[4-(furan-2-carbonylamino)-3-methylphenyl]furan-2-carboxamide
CID 4287180

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide (CID 4537752) is 5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(C)C)cc3)o2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
The InChIKey is CMQQPMXCRJQCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-14(2)17-7-9-19(10-8-17)23-22(24)21-12-11-20(25-21)18-6-5-15(3)16(4)13-18/h5-14H,1-4H3,(H,23,24).
What are the key properties of 5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide?
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 4537752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).