N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide

C21H22N2O4 — CID 71480810

IUPACN-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
SMILESCCCOc1ccc(C(=O)NCCNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C21H22N2O4/c1-2-13-26-17-9-7-15(8-10-17)20(24)22-11-12-23-21(25)19-14-16-5-3-4-6-18(16)27-19/h3-10,14H,2,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyORFLDRAXBCWJAD-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.38
Rot. Bonds8

About N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide

N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 71480810) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
PubChem CID71480810
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
SMILESCCCOc1ccc(C(=O)NCCNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C21H22N2O4/c1-2-13-26-17-9-7-15(8-10-17)20(24)22-11-12-23-21(25)19-14-16-5-3-4-6-18(16)27-19/h3-10,14H,2,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyORFLDRAXBCWJAD-UHFFFAOYSA-N
XLogP3.38
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide
CID 9366881
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(2-propoxyethyl)-1-benzofuran-2-carboxamide
CID 140557054
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
2-benzamidoethyl 1-benzofuran-2-carboxylate
CID 569920
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766
N-butyl-4-propoxybenzamide
CID 17142951
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 7431748
N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19213740
N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide
CID 115699680
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide (CID 71480810) is N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide is CCCOc1ccc(C(=O)NCCNC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is ORFLDRAXBCWJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-2-13-26-17-9-7-15(8-10-17)20(24)22-11-12-23-21(25)19-14-16-5-3-4-6-18(16)27-19/h3-10,14H,2,11-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide?
N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71480810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).