2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide

C15H23N3O3 — CID 106591770

IUPAC2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
SMILESCOCCNC(=O)CCNC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C15H23N3O3/c1-11(12-4-3-5-13(16)10-12)15(20)18-7-6-14(19)17-8-9-21-2/h3-5,10-11H,6-9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZWIOKZAJDVKIED-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.64
Rot. Bonds8

About 2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide

2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide (PubChem CID 106591770) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
PubChem CID106591770
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
SMILESCOCCNC(=O)CCNC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C15H23N3O3/c1-11(12-4-3-5-13(16)10-12)15(20)18-7-6-14(19)17-8-9-21-2/h3-5,10-11H,6-9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyZWIOKZAJDVKIED-UHFFFAOYSA-N
XLogP0.64
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide
CID 115649428
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006140
2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide
CID 106591466
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
3-[1-(3-bromophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 115667940
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 106591189
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 106590951

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide (CID 106591770) is 2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide is COCCNC(=O)CCNC(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide?
The InChIKey is ZWIOKZAJDVKIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(12-4-3-5-13(16)10-12)15(20)18-7-6-14(19)17-8-9-21-2/h3-5,10-11H,6-9,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide?
2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 0.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 106591770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).