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

C19H21N3O — CID 28712929

IUPAC3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESNc1ccc(CCC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H21N3O/c20-16-8-5-14(6-9-16)7-10-19(23)21-12-11-15-13-22-18-4-2-1-3-17(15)18/h1-6,8-9,13,22H,7,10-12,20H2,(H,21,23)
InChIKeyVNUQHHSXEKYGGW-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.04
Rot. Bonds6

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

3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 28712929) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID28712929
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESNc1ccc(CCC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H21N3O/c20-16-8-5-14(6-9-16)7-10-19(23)21-12-11-15-13-22-18-4-2-1-3-17(15)18/h1-6,8-9,13,22H,7,10-12,20H2,(H,21,23)
InChIKeyVNUQHHSXEKYGGW-UHFFFAOYSA-N
XLogP3.04
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
6-amino-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 61259839
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
7-amino-N-[2-(1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 75493600
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 55570240
N-[2-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 4796028
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109021183
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
N-[2-(1H-indol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527895

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 28712929) is 3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide is Nc1ccc(CCC(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is VNUQHHSXEKYGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c20-16-8-5-14(6-9-16)7-10-19(23)21-12-11-15-13-22-18-4-2-1-3-17(15)18/h1-6,8-9,13,22H,7,10-12,20H2,(H,21,23).
What are the key properties of 3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide has a molecular weight of 307.40 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 28712929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).