N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C17H17NO3 — CID 44782602

IUPACN-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)CC(C)O3)cc1
InChIInChI=1S/C17H17NO3/c1-11-9-13-10-12(3-8-16(13)21-11)17(19)18-14-4-6-15(20-2)7-5-14/h3-8,10-11H,9H2,1-2H3,(H,18,19)
InChIKeyBRIXOJRROBEATK-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.27
Rot. Bonds3

About N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 44782602) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID44782602
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)CC(C)O3)cc1
InChIInChI=1S/C17H17NO3/c1-11-9-13-10-12(3-8-16(13)21-11)17(19)18-14-4-6-15(20-2)7-5-14/h3-8,10-11H,9H2,1-2H3,(H,18,19)
InChIKeyBRIXOJRROBEATK-UHFFFAOYSA-N
XLogP3.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 27210785
(E)-3-(4-methoxyphenyl)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one
CID 6288850
(3-methoxyphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297098
N-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pyridazine-4-carboxamide
CID 131901784
N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782559
N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683224
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
(E)-3-(2,5-dimethoxyphenyl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-one
CID 7649118
(3S)-6-[(4-methoxybenzoyl)amino]-N-propan-2-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 95091455
(2R)-2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(4-methoxyphenyl)propanamide
CID 25376384
4-amino-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 89028367

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 44782602) is N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)CC(C)O3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is BRIXOJRROBEATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-9-13-10-12(3-8-16(13)21-11)17(19)18-14-4-6-15(20-2)7-5-14/h3-8,10-11H,9H2,1-2H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 44782602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).