3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide

C18H23N3O — CID 120612175

IUPAC3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
SMILESCN(CCNC(=O)CCc1ccccc1N)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-21(16-8-3-2-4-9-16)14-13-20-18(22)12-11-15-7-5-6-10-17(15)19/h2-10H,11-14,19H2,1H3,(H,20,22)
InChIKeyBUPFDLUPIYREFN-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.45
Rot. Bonds7

About 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide

3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide (PubChem CID 120612175) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
PubChem CID120612175
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
SMILESCN(CCNC(=O)CCc1ccccc1N)c1ccccc1
InChIInChI=1S/C18H23N3O/c1-21(16-8-3-2-4-9-16)14-13-20-18(22)12-11-15-7-5-6-10-17(15)19/h2-10H,11-14,19H2,1H3,(H,20,22)
InChIKeyBUPFDLUPIYREFN-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide;dihydrochloride
CID 120612174
3-(2-bromophenyl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 55822824
3-(2-aminophenyl)-N-[3-(dimethylamino)-3-oxopropyl]propanamide;hydrochloride
CID 120609267
N-(2-acetamidoethyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120608123
N-[2-(dimethylamino)ethyl]-3-(N-methylanilino)propanamide
CID 109016239
3-(2-aminophenyl)-N-methyl-N-phenylpropanamide
CID 28713868
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
6-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 61260836
5-amino-4-methyl-N-[2-(N-methylanilino)ethyl]pentanamide
CID 82012269
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(tert-butylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61260104
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 94476681

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide (CID 120612175) is 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide is CN(CCNC(=O)CCc1ccccc1N)c1ccccc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide?
The InChIKey is BUPFDLUPIYREFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-21(16-8-3-2-4-9-16)14-13-20-18(22)12-11-15-7-5-6-10-17(15)19/h2-10H,11-14,19H2,1H3,(H,20,22).
What are the key properties of 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide?
3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide has a molecular weight of 297.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(N-methylanilino)ethyl]propanamide is sourced from PubChem (CID 120612175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).