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

C22H23NO4 — CID 177358680

IUPACN-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccc(C(C)C)cc3)o2)cc(OC)c1
InChIInChI=1S/C22H23NO4/c1-14(2)15-5-7-16(8-6-15)20-9-10-21(27-20)22(24)23-17-11-18(25-3)13-19(12-17)26-4/h5-14H,1-4H3,(H,23,24)
InChIKeyVSJZGWCULGGHOO-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.34
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide (PubChem CID 177358680) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide
PubChem CID177358680
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC NameN-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ccc(C(C)C)cc3)o2)cc(OC)c1
InChIInChI=1S/C22H23NO4/c1-14(2)15-5-7-16(8-6-15)20-9-10-21(27-20)22(24)23-17-11-18(25-3)13-19(12-17)26-4/h5-14H,1-4H3,(H,23,24)
InChIKeyVSJZGWCULGGHOO-UHFFFAOYSA-N
XLogP5.34
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
methyl 2-[3-[[5-(4-propan-2-ylphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654833
methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate
CID 20750206
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
5-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxylic acid
CID 91688533
5-(4-bromophenyl)-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 17127606
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-(3-chlorophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 880701
methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654703
dimethyl 5-[[5-(4-bromophenyl)furan-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1323777
5-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 3393060

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide (CID 177358680) is N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3ccc(C(C)C)cc3)o2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide?
The InChIKey is VSJZGWCULGGHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-14(2)15-5-7-16(8-6-15)20-9-10-21(27-20)22(24)23-17-11-18(25-3)13-19(12-17)26-4/h5-14H,1-4H3,(H,23,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide?
N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 177358680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).