N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide

C27H28N2O3 — CID 4674943

IUPACN-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
SMILESCCONC(=O)CC(c1cccc(OCc2ccccc2)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C27H28N2O3/c1-3-32-28-27(30)17-24(25-18-29(2)26-15-8-7-14-23(25)26)21-12-9-13-22(16-21)31-19-20-10-5-4-6-11-20/h4-16,18,24H,3,17,19H2,1-2H3,(H,28,30)
InChIKeyWFFRKNBDMFLLPB-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.35
Rot. Bonds9

About N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide

N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide (PubChem CID 4674943) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
PubChem CID4674943
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide
SMILESCCONC(=O)CC(c1cccc(OCc2ccccc2)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C27H28N2O3/c1-3-32-28-27(30)17-24(25-18-29(2)26-15-8-7-14-23(25)26)21-12-9-13-22(16-21)31-19-20-10-5-4-6-11-20/h4-16,18,24H,3,17,19H2,1-2H3,(H,28,30)
InChIKeyWFFRKNBDMFLLPB-UHFFFAOYSA-N
XLogP5.35
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 42774633
(3S)-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064354
3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide
CID 42778020
N-benzyl-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336280
N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-methylindol-3-yl)propanamide
CID 83284865
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
N-benzyl-3-(1-benzylindol-3-yl)-N-[2-(dimethylamino)ethyl]-3-(3-phenylmethoxyphenyl)propanamide
CID 42774847
(3R)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(3-phenylmethoxyphenyl)propanamide
CID 98443576
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide
CID 3336287
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
N-[(3-ethoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 51606702
3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanoic acid
CID 3542496

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide?
The IUPAC name of N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide (CID 4674943) is N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide?
The canonical SMILES for N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide is CCONC(=O)CC(c1cccc(OCc2ccccc2)c1)c1cn(C)c2ccccc12.
What is the InChIKey of N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide?
The InChIKey is WFFRKNBDMFLLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-3-32-28-27(30)17-24(25-18-29(2)26-15-8-7-14-23(25)26)21-12-9-13-22(16-21)31-19-20-10-5-4-6-11-20/h4-16,18,24H,3,17,19H2,1-2H3,(H,28,30).
What are the key properties of N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide?
N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide has a molecular weight of 428.53 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 4674943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).