(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide

C37H34N2O4 — CID 98443576

IUPAC(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide
SMILESCOc1ccc(Cn2cc([C@H](CC(=O)NCc3ccco3)c3cccc(OCc4ccccc4)c3)c3ccccc32)cc1
InChIInChI=1S/C37H34N2O4/c1-41-30-18-16-27(17-19-30)24-39-25-35(33-14-5-6-15-36(33)39)34(22-37(40)38-23-32-13-8-20-42-32)29-11-7-12-31(21-29)43-26-28-9-3-2-4-10-28/h2-21,25,34H,22-24,26H2,1H3,(H,38,40)/t34-/m1/s1
InChIKeyYBDJOSKFUYJORS-UUWRZZSWSA-N
MW570.69 g/mol
LogP7.71
Rot. Bonds12

About (3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide

(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide (PubChem CID 98443576) has the molecular formula C37H34N2O4 and a molecular weight of 570.69 g/mol. Its IUPAC name is (3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide
PubChem CID98443576
Molecular FormulaC37H34N2O4
Molecular Weight570.69 g/mol
Exact Mass570.25
IUPAC Name(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide
SMILESCOc1ccc(Cn2cc([C@H](CC(=O)NCc3ccco3)c3cccc(OCc4ccccc4)c3)c3ccccc32)cc1
InChIInChI=1S/C37H34N2O4/c1-41-30-18-16-27(17-19-30)24-39-25-35(33-14-5-6-15-36(33)39)34(22-37(40)38-23-32-13-8-20-42-32)29-11-7-12-31(21-29)43-26-28-9-3-2-4-10-28/h2-21,25,34H,22-24,26H2,1H3,(H,38,40)/t34-/m1/s1
InChIKeyYBDJOSKFUYJORS-UUWRZZSWSA-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
3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 71957654
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide
CID 83275455
(3S)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 98250713
N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide
CID 83274949
3-(4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 4019115
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
(3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 98443934
N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 83274548
3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 90488621
(3S)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-(furan-2-ylmethyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
CID 98444374
(3R)-3-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 98444385

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide?
The IUPAC name of (3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide (CID 98443576) is (3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for (3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide?
The canonical SMILES for (3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide is COc1ccc(Cn2cc([C@H](CC(=O)NCc3ccco3)c3cccc(OCc4ccccc4)c3)c3ccccc32)cc1.
What is the InChIKey of (3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide?
The InChIKey is YBDJOSKFUYJORS-UUWRZZSWSA-N. The full InChI is InChI=1S/C37H34N2O4/c1-41-30-18-16-27(17-19-30)24-39-25-35(33-14-5-6-15-36(33)39)34(22-37(40)38-23-32-13-8-20-42-32)29-11-7-12-31(21-29)43-26-28-9-3-2-4-10-28/h2-21,25,34H,22-24,26H2,1H3,(H,38,40)/t34-/m1/s1.
What are the key properties of (3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide?
(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(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 (3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 98443576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).