N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide

C29H32N2O4 — CID 83284865

IUPACN-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
SMILESCOCCNC(=O)CC(c1ccc(OCc2ccccc2)c(OC)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C29H32N2O4/c1-31-19-25(23-11-7-8-12-26(23)31)24(18-29(32)30-15-16-33-2)22-13-14-27(28(17-22)34-3)35-20-21-9-5-4-6-10-21/h4-14,17,19,24H,15-16,18,20H2,1-3H3,(H,30,32)
InChIKeyYNVPQIOSOBFJFK-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.05
Rot. Bonds11

About N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide

N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide (PubChem CID 83284865) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
PubChem CID83284865
Molecular FormulaC29H32N2O4
Molecular Weight472.59 g/mol
Exact Mass472.24
IUPAC NameN-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
SMILESCOCCNC(=O)CC(c1ccc(OCc2ccccc2)c(OC)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C29H32N2O4/c1-31-19-25(23-11-7-8-12-26(23)31)24(18-29(32)30-15-16-33-2)22-13-14-27(28(17-22)34-3)35-20-21-9-5-4-6-10-21/h4-14,17,19,24H,15-16,18,20H2,1-3H3,(H,30,32)
InChIKeyYNVPQIOSOBFJFK-UHFFFAOYSA-N
XLogP5.05
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 83274548
(3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 98443934
3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 83285649
(3R)-3-(1-benzylindol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 98250727
(3S)-3-(1-benzylindol-3-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 98443791
3-(4-methoxy-3-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 83285650
(3S)-3-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93122462
(3S)-3-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-methylindol-3-yl)propanamide
CID 93122532
N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
CID 83274952
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
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 N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide (CID 83284865) is N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide is COCCNC(=O)CC(c1ccc(OCc2ccccc2)c(OC)c1)c1cn(C)c2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide?
The InChIKey is YNVPQIOSOBFJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-31-19-25(23-11-7-8-12-26(23)31)24(18-29(32)30-15-16-33-2)22-13-14-27(28(17-22)34-3)35-20-21-9-5-4-6-10-21/h4-14,17,19,24H,15-16,18,20H2,1-3H3,(H,30,32).
What are the key properties of N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide?
N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide has a molecular weight of 472.59 g/mol, XLogP of 5.05, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 83284865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).