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

C16H19NO3 — CID 94282373

IUPAC5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)CCO)o2)cc1C
InChIInChI=1S/C16H19NO3/c1-11-4-5-13(10-12(11)2)14-6-7-15(20-14)16(19)17(3)8-9-18/h4-7,10,18H,8-9H2,1-3H3
InChIKeyHJNBSGHDVXMTDP-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.63
Rot. Bonds4

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

5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide (PubChem CID 94282373) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
PubChem CID94282373
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)CCO)o2)cc1C
InChIInChI=1S/C16H19NO3/c1-11-4-5-13(10-12(11)2)14-6-7-15(20-14)16(19)17(3)8-9-18/h4-7,10,18H,8-9H2,1-3H3
InChIKeyHJNBSGHDVXMTDP-UHFFFAOYSA-N
XLogP2.63
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 82121160
5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 94282375
2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124001
N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4281117
5-(3,4-dimethylphenyl)-N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 4309569
1-[5-(3-fluoro-4-methylphenyl)furan-2-yl]ethanone
CID 62500345
5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide
CID 175336122
N-methyl-N-[2-(4-methylphenoxy)ethyl]-5-(4-nitrophenyl)furan-2-carboxamide
CID 18119275
N-(4-chlorophenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4031207
5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 24978921
N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3628910
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)-N-methylfuran-2-carboxamide
CID 18111620

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide (CID 94282373) is 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide is Cc1ccc(-c2ccc(C(=O)N(C)CCO)o2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide?
The InChIKey is HJNBSGHDVXMTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-4-5-13(10-12(11)2)14-6-7-15(20-14)16(19)17(3)8-9-18/h4-7,10,18H,8-9H2,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide?
5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 94282373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).