N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

C27H26N2O6 — CID 41253948

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C27H26N2O6/c1-17(24-14-18-8-4-6-10-21(18)35-24)28-27(31)19-12-13-23(25(15-19)33-3)34-16-26(30)29-20-9-5-7-11-22(20)32-2/h4-15,17H,16H2,1-3H3,(H,28,31)(H,29,30)/t17-/m0/s1
InChIKeyHOXKUYZXKUZNGQ-KRWDZBQOSA-N
MW474.51 g/mol
LogP4.96
Rot. Bonds9

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 41253948) has the molecular formula C27H26N2O6 and a molecular weight of 474.51 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID41253948
Molecular FormulaC27H26N2O6
Molecular Weight474.51 g/mol
Exact Mass474.18
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC
InChIInChI=1S/C27H26N2O6/c1-17(24-14-18-8-4-6-10-21(18)35-24)28-27(31)19-12-13-23(25(15-19)33-3)34-16-26(30)29-20-9-5-7-11-22(20)32-2/h4-15,17H,16H2,1-3H3,(H,28,31)(H,29,30)/t17-/m0/s1
InChIKeyHOXKUYZXKUZNGQ-KRWDZBQOSA-N
XLogP4.96
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 26005805
N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511
2-methylpropyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 24518174
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46593010
3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 9169667
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 46559779
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55777976
N-[(1R)-2-ethyl-1-thiophen-2-ylbutyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 51966640
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 41113364
ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate
CID 56558869
N-[2-(benzylamino)-2-oxoethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55676193
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55332179

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (CID 41253948) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is COc1ccccc1NC(=O)COc1ccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is HOXKUYZXKUZNGQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H26N2O6/c1-17(24-14-18-8-4-6-10-21(18)35-24)28-27(31)19-12-13-23(25(15-19)33-3)34-16-26(30)29-20-9-5-7-11-22(20)32-2/h4-15,17H,16H2,1-3H3,(H,28,31)(H,29,30)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 474.51 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 41253948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).