N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide

C23H26N2O4 — CID 9366881

IUPACN-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H26N2O4/c1-3-4-13-28-19-11-9-17(10-12-19)23(27)24-15-22(26)25-16(2)21-14-18-7-5-6-8-20(18)29-21/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKeyFSIMUTXCKCCNBO-MRXNPFEDSA-N
MW394.47 g/mol
LogP4.22
Rot. Bonds9

About N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide

N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide (PubChem CID 9366881) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide
PubChem CID9366881
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H26N2O4/c1-3-4-13-28-19-11-9-17(10-12-19)23(27)24-15-22(26)25-16(2)21-14-18-7-5-6-8-20(18)29-21/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,24,27)(H,25,26)/t16-/m1/s1
InChIKeyFSIMUTXCKCCNBO-MRXNPFEDSA-N
XLogP4.22
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.22
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-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 17414778
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 26005805
4-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethoxy]benzamide
CID 8566320
N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480810
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide
CID 46468132
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17398961
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094865

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide?
The IUPAC name of N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide (CID 9366881) is N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide.
What is the SMILES notation for N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide?
The canonical SMILES for N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide is CCCCOc1ccc(C(=O)NCC(=O)N[C@H](C)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide?
The InChIKey is FSIMUTXCKCCNBO-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-4-13-28-19-11-9-17(10-12-19)23(27)24-15-22(26)25-16(2)21-14-18-7-5-6-8-20(18)29-21/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,24,27)(H,25,26)/t16-/m1/s1.
What are the key properties of N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide?
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide has a molecular weight of 394.47 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide is sourced from PubChem (CID 9366881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).