N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide

C23H24N2O4 — CID 47063757

IUPACN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)oc2ccccc12
InChIInChI=1S/C23H24N2O4/c1-15-19-4-2-3-5-20(19)29-22(15)23(27)24-13-12-16-6-10-18(11-7-16)28-14-21(26)25-17-8-9-17/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyBCOLMFSCQOYVGK-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.37
Rot. Bonds8

About N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 47063757) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID47063757
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)oc2ccccc12
InChIInChI=1S/C23H24N2O4/c1-15-19-4-2-3-5-20(19)29-22(15)23(27)24-13-12-16-6-10-18(11-7-16)28-14-21(26)25-17-8-9-17/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyBCOLMFSCQOYVGK-UHFFFAOYSA-N
XLogP3.37
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide (CID 47063757) is N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)oc2ccccc12.
What is the InChIKey of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is BCOLMFSCQOYVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-19-4-2-3-5-20(19)29-22(15)23(27)24-13-12-16-6-10-18(11-7-16)28-14-21(26)25-17-8-9-17/h2-7,10-11,17H,8-9,12-14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47063757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).