3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide

C37H34N2O4 — CID 83275455

IUPAC3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2ccco2)c2cn(Cc3ccccc3)c3ccccc23)cc1OCc1ccccc1
InChIInChI=1S/C37H34N2O4/c1-41-35-19-18-29(21-36(35)43-26-28-13-6-3-7-14-28)32(22-37(40)38-23-30-15-10-20-42-30)33-25-39(24-27-11-4-2-5-12-27)34-17-9-8-16-31(33)34/h2-21,25,32H,22-24,26H2,1H3,(H,38,40)
InChIKeyKYGHMOWTCLTGBG-UHFFFAOYSA-N
MW570.69 g/mol
LogP7.71
Rot. Bonds12

About 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide

3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide (PubChem CID 83275455) has the molecular formula C37H34N2O4 and a molecular weight of 570.69 g/mol. Its IUPAC name is 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide
PubChem CID83275455
Molecular FormulaC37H34N2O4
Molecular Weight570.69 g/mol
Exact Mass570.25
IUPAC Name3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2ccco2)c2cn(Cc3ccccc3)c3ccccc23)cc1OCc1ccccc1
InChIInChI=1S/C37H34N2O4/c1-41-35-19-18-29(21-36(35)43-26-28-13-6-3-7-14-28)32(22-37(40)38-23-30-15-10-20-42-30)33-25-39(24-27-11-4-2-5-12-27)34-17-9-8-16-31(33)34/h2-21,25,32H,22-24,26H2,1H3,(H,38,40)
InChIKeyKYGHMOWTCLTGBG-UHFFFAOYSA-N
XLogP7.71
TPSA65.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 83274952
(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide
CID 98443576
(3R)-3-(1-benzylindol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 98250727
(3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 98443934
3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 71957654
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 83274548
3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 83275450
(3S)-3-(1-benzylindol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 98443791
(3R)-3-(1-benzylindol-3-yl)-3-(4-methoxy-3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 98443665
3-(1-benzylindol-3-yl)-3-(4-methoxy-3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 83285405
3-(1-benzylindol-3-yl)-3-(4-methoxy-3-phenylmethoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 83275448

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide (CID 83275455) is 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide is COc1ccc(C(CC(=O)NCc2ccco2)c2cn(Cc3ccccc3)c3ccccc23)cc1OCc1ccccc1.
What is the InChIKey of 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide?
The InChIKey is KYGHMOWTCLTGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N2O4/c1-41-35-19-18-29(21-36(35)43-26-28-13-6-3-7-14-28)32(22-37(40)38-23-30-15-10-20-42-30)33-25-39(24-27-11-4-2-5-12-27)34-17-9-8-16-31(33)34/h2-21,25,32H,22-24,26H2,1H3,(H,38,40).
What are the key properties of 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide?
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide has a molecular weight of 570.69 g/mol, XLogP of 7.71, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 83275455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).