3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride

C20H24ClN3O — CID 120610465

IUPAC3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride
SMILESCc1cccc2[nH]cc(CCNC(=O)CCc3ccccc3N)c12.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-14-5-4-8-18-20(14)16(13-23-18)11-12-22-19(24)10-9-15-6-2-3-7-17(15)21;/h2-8,13,23H,9-12,21H2,1H3,(H,22,24);1H
InChIKeyWLNLNYXKOWTSCS-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.77
Rot. Bonds6

About 3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride (PubChem CID 120610465) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride
PubChem CID120610465
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride
SMILESCc1cccc2[nH]cc(CCNC(=O)CCc3ccccc3N)c12.Cl
InChIInChI=1S/C20H23N3O.ClH/c1-14-5-4-8-18-20(14)16(13-23-18)11-12-22-19(24)10-9-15-6-2-3-7-17(15)21;/h2-8,13,23H,9-12,21H2,1H3,(H,22,24);1H
InChIKeyWLNLNYXKOWTSCS-UHFFFAOYSA-N
XLogP3.77
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
CID 119774506
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 111435148
2-(cyclopropylmethylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774526
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride (CID 120610465) is 3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride is Cc1cccc2[nH]cc(CCNC(=O)CCc3ccccc3N)c12.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride?
The InChIKey is WLNLNYXKOWTSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-14-5-4-8-18-20(14)16(13-23-18)11-12-22-19(24)10-9-15-6-2-3-7-17(15)21;/h2-8,13,23H,9-12,21H2,1H3,(H,22,24);1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 120610465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).