2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide

C22H27N5O2 — CID 10293991

IUPAC2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide
SMILESCC(C(=O)NCC(=O)NCCc1c[nH]c2ccccc12)N(C)c1cccc(N)c1
InChIInChI=1S/C22H27N5O2/c1-15(27(2)18-7-5-6-17(23)12-18)22(29)26-14-21(28)24-11-10-16-13-25-20-9-4-3-8-19(16)20/h3-9,12-13,15,25H,10-11,14,23H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyMFMKSFVNHXKGHW-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.05
Rot. Bonds8

About 2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide

2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide (PubChem CID 10293991) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide
PubChem CID10293991
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide
SMILESCC(C(=O)NCC(=O)NCCc1c[nH]c2ccccc12)N(C)c1cccc(N)c1
InChIInChI=1S/C22H27N5O2/c1-15(27(2)18-7-5-6-17(23)12-18)22(29)26-14-21(28)24-11-10-16-13-25-20-9-4-3-8-19(16)20/h3-9,12-13,15,25H,10-11,14,23H2,1-2H3,(H,24,28)(H,26,29)
InChIKeyMFMKSFVNHXKGHW-UHFFFAOYSA-N
XLogP2.05
TPSA103.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-N'-(3-aminophenyl)-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108526611
N-[2-(1H-indol-3-yl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112993944
2-amino-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]acetamide
CID 61258221
2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide
CID 61295832
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112993936
3-[3-(N'-hydroxycarbamimidoyl)phenyl]-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methylpropanamide
CID 85326022
2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 108995075
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110343313
2-[2-(1H-indol-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 108992856

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide?
The IUPAC name of 2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide (CID 10293991) is 2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide?
The canonical SMILES for 2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide is CC(C(=O)NCC(=O)NCCc1c[nH]c2ccccc12)N(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide?
The InChIKey is MFMKSFVNHXKGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-15(27(2)18-7-5-6-17(23)12-18)22(29)26-14-21(28)24-11-10-16-13-25-20-9-4-3-8-19(16)20/h3-9,12-13,15,25H,10-11,14,23H2,1-2H3,(H,24,28)(H,26,29).
What are the key properties of 2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide?
2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide has a molecular weight of 393.49 g/mol, XLogP of 2.05, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-N-methylanilino)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]propanamide is sourced from PubChem (CID 10293991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).