3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide

C14H19N3O2 — CID 43568602

IUPAC3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
SMILESNc1ccc(CCC(=O)NCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H19N3O2/c15-11-4-1-10(2-5-11)3-8-13(18)16-9-14(19)17-12-6-7-12/h1-2,4-5,12H,3,6-9,15H2,(H,16,18)(H,17,19)
InChIKeyHATSGRQGFAPEBU-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.60
Rot. Bonds6

About 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide

3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide (PubChem CID 43568602) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
PubChem CID43568602
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
SMILESNc1ccc(CCC(=O)NCC(=O)NC2CC2)cc1
InChIInChI=1S/C14H19N3O2/c15-11-4-1-10(2-5-11)3-8-13(18)16-9-14(19)17-12-6-7-12/h1-2,4-5,12H,3,6-9,15H2,(H,16,18)(H,17,19)
InChIKeyHATSGRQGFAPEBU-UHFFFAOYSA-N
XLogP0.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide (CID 43568602) is 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide is Nc1ccc(CCC(=O)NCC(=O)NC2CC2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
The InChIKey is HATSGRQGFAPEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-11-4-1-10(2-5-11)3-8-13(18)16-9-14(19)17-12-6-7-12/h1-2,4-5,12H,3,6-9,15H2,(H,16,18)(H,17,19).
What are the key properties of 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide?
3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide has a molecular weight of 261.32 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 43568602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).