N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide

C21H21N3O2 — CID 70844321

IUPACN-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide
SMILESCCn1c(C#Cc2ccc(NC(C)=O)cc2)c(N)c2cc(OC)ccc21
InChIInChI=1S/C21H21N3O2/c1-4-24-19-12-10-17(26-3)13-18(19)21(22)20(24)11-7-15-5-8-16(9-6-15)23-14(2)25/h5-6,8-10,12-13H,4,22H2,1-3H3,(H,23,25)
InChIKeyFHLGCXBEPOTPHP-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.61
Rot. Bonds3

About N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide

N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide (PubChem CID 70844321) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide
PubChem CID70844321
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide
SMILESCCn1c(C#Cc2ccc(NC(C)=O)cc2)c(N)c2cc(OC)ccc21
InChIInChI=1S/C21H21N3O2/c1-4-24-19-12-10-17(26-3)13-18(19)21(22)20(24)11-7-15-5-8-16(9-6-15)23-14(2)25/h5-6,8-10,12-13H,4,22H2,1-3H3,(H,23,25)
InChIKeyFHLGCXBEPOTPHP-UHFFFAOYSA-N
XLogP3.61
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine
CID 70844613
N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide
CID 58693969
acetyl chloride;2-[2-(4-aminophenyl)ethynyl]-1-ethyl-6-methoxyindole-3-carbonitrile;N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]acetamide;N,N-diethylethanamine;oxolane
CID 162080073
N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide
CID 89024375
1-ethyl-6-methoxy-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]ethynyl]indole-3-carbonitrile
CID 143184280
2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine
CID 89024435
N-[4-[3-(4-methoxyphenyl)prop-2-ynylsulfamoyl]phenyl]acetamide
CID 90553087
N-[4-[3-[(2,4-dimethoxyphenyl)carbamoylamino]prop-1-ynyl]phenyl]acetamide
CID 90554177
3-chloropropyl N-[3-(3-amino-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 89024430
2-methylpropyl N-(3-amino-1-ethyl-6-methoxyindol-2-yl)carbamate
CID 70844069
2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindol-3-amine
CID 70844327
N-[4-[1-ethyl-5-methoxy-3-(methylamino)indol-2-yl]phenyl]cyclobutanecarboxamide
CID 143184985

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide (CID 70844321) is N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide is CCn1c(C#Cc2ccc(NC(C)=O)cc2)c(N)c2cc(OC)ccc21.
What is the InChIKey of N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide?
The InChIKey is FHLGCXBEPOTPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-4-24-19-12-10-17(26-3)13-18(19)21(22)20(24)11-7-15-5-8-16(9-6-15)23-14(2)25/h5-6,8-10,12-13H,4,22H2,1-3H3,(H,23,25).
What are the key properties of N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide?
N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide is sourced from PubChem (CID 70844321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).