3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide

C33H32N2O3 — CID 83287646

IUPAC3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
SMILESCOc1cc(C(CC(N)=O)c2cn(Cc3ccc(C)cc3)c3ccccc23)ccc1OCc1ccccc1
InChIInChI=1S/C33H32N2O3/c1-23-12-14-24(15-13-23)20-35-21-29(27-10-6-7-11-30(27)35)28(19-33(34)36)26-16-17-31(32(18-26)37-2)38-22-25-8-4-3-5-9-25/h3-18,21,28H,19-20,22H2,1-2H3,(H2,34,36)
InChIKeyXWMKZEVHLVKLDP-UHFFFAOYSA-N
MW504.63 g/mol
LogP6.59
Rot. Bonds10

About 3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide

3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide (PubChem CID 83287646) has the molecular formula C33H32N2O3 and a molecular weight of 504.63 g/mol. Its IUPAC name is 3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
PubChem CID83287646
Molecular FormulaC33H32N2O3
Molecular Weight504.63 g/mol
Exact Mass504.24
IUPAC Name3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide
SMILESCOc1cc(C(CC(N)=O)c2cn(Cc3ccc(C)cc3)c3ccccc23)ccc1OCc1ccccc1
InChIInChI=1S/C33H32N2O3/c1-23-12-14-24(15-13-23)20-35-21-29(27-10-6-7-11-30(27)35)28(19-33(34)36)26-16-17-31(32(18-26)37-2)38-22-25-8-4-3-5-9-25/h3-18,21,28H,19-20,22H2,1-2H3,(H2,34,36)
InChIKeyXWMKZEVHLVKLDP-UHFFFAOYSA-N
XLogP6.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(1-benzylindol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 98250727
(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
(3R)-3-(1-benzylindol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 98443772
3-(1-benzylindol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)propan-1-one
CID 83274760
N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 83274548
3-(1-benzylindol-3-yl)-3-(4-methoxy-3-phenylmethoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 83275448
(3S)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propan-1-one
CID 98443780
(3R)-3-(1-benzylindol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(4-methoxy-3-phenylmethoxyphenyl)propan-1-one
CID 98443671
(3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 98443934
N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 83274952
3-(1-benzylindol-3-yl)-N-(furan-2-ylmethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)propanamide
CID 83275455

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide?
The IUPAC name of 3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide (CID 83287646) is 3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide.
What is the SMILES notation for 3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide?
The canonical SMILES for 3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide is COc1cc(C(CC(N)=O)c2cn(Cc3ccc(C)cc3)c3ccccc23)ccc1OCc1ccccc1.
What is the InChIKey of 3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide?
The InChIKey is XWMKZEVHLVKLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O3/c1-23-12-14-24(15-13-23)20-35-21-29(27-10-6-7-11-30(27)35)28(19-33(34)36)26-16-17-31(32(18-26)37-2)38-22-25-8-4-3-5-9-25/h3-18,21,28H,19-20,22H2,1-2H3,(H2,34,36).
What are the key properties of 3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide?
3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide has a molecular weight of 504.63 g/mol, XLogP of 6.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 83287646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).