N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

C21H21NO4 — CID 91813507

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC(C)Cc3ccc4c(c3)CCO4)oc12
InChIInChI=1S/C21H21NO4/c1-13(10-14-6-7-17-15(11-14)8-9-25-17)22-21(23)19-12-16-4-3-5-18(24-2)20(16)26-19/h3-7,11-13H,8-10H2,1-2H3,(H,22,23)
InChIKeyJBSYCHXWCOSEHZ-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.74
Rot. Bonds5

About N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 91813507) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID91813507
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NC(C)Cc3ccc4c(c3)CCO4)oc12
InChIInChI=1S/C21H21NO4/c1-13(10-14-6-7-17-15(11-14)8-9-25-17)22-21(23)19-12-16-4-3-5-18(24-2)20(16)26-19/h3-7,11-13H,8-10H2,1-2H3,(H,22,23)
InChIKeyJBSYCHXWCOSEHZ-UHFFFAOYSA-N
XLogP3.74
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 97104848
2-bromo-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-5-methoxybenzamide
CID 100692806
N-[1-(4-ethylphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 133178584
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 94012379
1-(2,6-difluorophenyl)-3-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 91813585
1-tert-butyl-3-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 100694484
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 41226801
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
1-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-thiophen-2-ylurea
CID 100694552
7-methoxy-N-[1-(4-methylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 53281692
1-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(3,4-dimethylphenyl)urea
CID 100694624
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxybenzamide
CID 110787049

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (CID 91813507) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC(C)Cc3ccc4c(c3)CCO4)oc12.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is JBSYCHXWCOSEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-13(10-14-6-7-17-15(11-14)8-9-25-17)22-21(23)19-12-16-4-3-5-18(24-2)20(16)26-19/h3-7,11-13H,8-10H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 351.40 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91813507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).