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

C15H17NO3 — CID 82121160

IUPAC5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCCO)o2)cc1C
InChIInChI=1S/C15H17NO3/c1-10-3-4-12(9-11(10)2)13-5-6-14(19-13)15(18)16-7-8-17/h3-6,9,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyAJVAUPFFWXUMSM-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.29
Rot. Bonds4

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

5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide (PubChem CID 82121160) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
PubChem CID82121160
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCCO)o2)cc1C
InChIInChI=1S/C15H17NO3/c1-10-3-4-12(9-11(10)2)13-5-6-14(19-13)15(18)16-7-8-17/h3-6,9,17H,7-8H2,1-2H3,(H,16,18)
InChIKeyAJVAUPFFWXUMSM-UHFFFAOYSA-N
XLogP2.29
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124001
5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 94282373
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 4309569
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-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 4002543
5-(3,4-dimethylphenyl)-N-naphthalen-2-ylfuran-2-carboxamide
CID 4600572
N-(2-chloro-4-iodophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3580369
N-[(4-chlorophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3913723
5-(3,4-dimethylphenyl)-N-[(2,3-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 5097661

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide (CID 82121160) is 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide is Cc1ccc(-c2ccc(C(=O)NCCO)o2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide?
The InChIKey is AJVAUPFFWXUMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-3-4-12(9-11(10)2)13-5-6-14(19-13)15(18)16-7-8-17/h3-6,9,17H,7-8H2,1-2H3,(H,16,18).
What are the key properties of 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide?
5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide is sourced from PubChem (CID 82121160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).