N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide

C23H20N2O4 — CID 166155571

IUPACN-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccccc3C(N)O)cc2)oc2ccccc12
InChIInChI=1S/C23H20N2O4/c1-14-17-6-2-4-8-19(17)29-21(14)23(27)25-15-10-12-16(13-11-15)28-20-9-5-3-7-18(20)22(24)26/h2-13,22,26H,24H2,1H3,(H,25,27)
InChIKeyXRCMKALSVVKRDO-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.74
Rot. Bonds5

About N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide

N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 166155571) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID166155571
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC NameN-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccccc3C(N)O)cc2)oc2ccccc12
InChIInChI=1S/C23H20N2O4/c1-14-17-6-2-4-8-19(17)29-21(14)23(27)25-15-10-12-16(13-11-15)28-20-9-5-3-7-18(20)22(24)26/h2-13,22,26H,24H2,1H3,(H,25,27)
InChIKeyXRCMKALSVVKRDO-UHFFFAOYSA-N
XLogP4.74
TPSA97.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-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-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
ethyl 2-[3-chloro-4-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 70985006
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7944836
N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 788573
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560
methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 103958225
N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 32592662
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
N-(7-methoxyquinolin-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 54773926
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
N-(2-butan-2-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108805400

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 166155571) is N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ccccc3C(N)O)cc2)oc2ccccc12.
What is the InChIKey of N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is XRCMKALSVVKRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-17-6-2-4-8-19(17)29-21(14)23(27)25-15-10-12-16(13-11-15)28-20-9-5-3-7-18(20)22(24)26/h2-13,22,26H,24H2,1H3,(H,25,27).
What are the key properties of N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166155571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).