N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C22H24N2O3 — CID 87003658

IUPACN-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C22H24N2O3/c1-4-24(14-15(2)3)22(26)17-9-7-10-18(12-17)23-21(25)20-13-16-8-5-6-11-19(16)27-20/h5-12,20H,2,4,13-14H2,1,3H3,(H,23,25)
InChIKeyWSMBAIZLQHIFCK-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.67
Rot. Bonds6

About N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 87003658) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID87003658
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESC=C(C)CN(CC)C(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1
InChIInChI=1S/C22H24N2O3/c1-4-24(14-15(2)3)22(26)17-9-7-10-18(12-17)23-21(25)20-13-16-8-5-6-11-19(16)27-20/h5-12,20H,2,4,13-14H2,1,3H3,(H,23,25)
InChIKeyWSMBAIZLQHIFCK-UHFFFAOYSA-N
XLogP3.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119348107
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-[3-(diethylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041040
2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid
CID 120523389
N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119570163
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18140061
N-[3-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119654477
N-[3-(3-aminopropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119406678
6-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 119352210
ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate
CID 55821307
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114307272
N-[3-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55793040

Frequently Asked Questions

What is the IUPAC name of N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 87003658) is N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is C=C(C)CN(CC)C(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1.
What is the InChIKey of N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is WSMBAIZLQHIFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-24(14-15(2)3)22(26)17-9-7-10-18(12-17)23-21(25)20-13-16-8-5-6-11-19(16)27-20/h5-12,20H,2,4,13-14H2,1,3H3,(H,23,25).
What are the key properties of N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 87003658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).