2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide

C20H27N3O — CID 120594854

IUPAC2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
SMILESCCN(CCCNC(=O)C(C)(N)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-3-23(18-13-8-5-9-14-18)16-10-15-22-19(24)20(2,21)17-11-6-4-7-12-17/h4-9,11-14H,3,10,15-16,21H2,1-2H3,(H,22,24)
InChIKeyXLMBSOJODVHMLO-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.89
Rot. Bonds8

About 2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide

2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide (PubChem CID 120594854) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
PubChem CID120594854
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
SMILESCCN(CCCNC(=O)C(C)(N)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-3-23(18-13-8-5-9-14-18)16-10-15-22-19(24)20(2,21)17-11-6-4-7-12-17/h4-9,11-14H,3,10,15-16,21H2,1-2H3,(H,22,24)
InChIKeyXLMBSOJODVHMLO-UHFFFAOYSA-N
XLogP2.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide
CID 63679963
3-(N-ethylanilino)propylurea
CID 112708177
2-amino-N-[2-[ethyl(propyl)amino]ethyl]-2-phenylpropanamide;dihydrochloride
CID 120597323
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
N-[2-[(2-amino-2-phenylpropanoyl)amino]ethyl]-2,2-dimethylpropanamide
CID 120591033
2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61259917
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61258840
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide
CID 79473705
2-amino-N-(2-ethylsulfonylethyl)-2-phenylpropanamide;hydrochloride
CID 120591623

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide (CID 120594854) is 2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide is CCN(CCCNC(=O)C(C)(N)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide?
The InChIKey is XLMBSOJODVHMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-23(18-13-8-5-9-14-18)16-10-15-22-19(24)20(2,21)17-11-6-4-7-12-17/h4-9,11-14H,3,10,15-16,21H2,1-2H3,(H,22,24).
What are the key properties of 2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide?
2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide has a molecular weight of 325.46 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide is sourced from PubChem (CID 120594854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).