2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride

C16H26ClN3O2 — CID 119741239

IUPAC2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
SMILESCCCNC(=O)CN(CCC)C(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-3-9-18-15(20)12-19(10-4-2)16(21)11-13-5-7-14(17)8-6-13;/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20);1H
InChIKeyKYNVOZPXUJRKEI-UHFFFAOYSA-N
MW327.86 g/mol
LogP2.00
Rot. Bonds8

About 2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride

2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride (PubChem CID 119741239) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
PubChem CID119741239
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
SMILESCCCNC(=O)CN(CCC)C(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-3-9-18-15(20)12-19(10-4-2)16(21)11-13-5-7-14(17)8-6-13;/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20);1H
InChIKeyKYNVOZPXUJRKEI-UHFFFAOYSA-N
XLogP2.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 52.00
H-Bond Donors ≤ 52
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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Related Compounds

2-(5-amino-2-pyridinyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 120624579
2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119744178
2-(4-amino-N-propylanilino)-N-propylacetamide
CID 55174400
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61115612
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
4-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propyl]benzoic acid
CID 119181956
2-[(4-aminophenyl)methyl-[2-oxo-2-(propylamino)ethyl]amino]acetamide
CID 43461145
(2R)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenyl-N-propylacetamide
CID 61163404
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
2-(4-aminophenyl)-N-heptylacetamide
CID 54795787

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride (CID 119741239) is 2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride is CCCNC(=O)CN(CCC)C(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride?
The InChIKey is KYNVOZPXUJRKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-3-9-18-15(20)12-19(10-4-2)16(21)11-13-5-7-14(17)8-6-13;/h5-8H,3-4,9-12,17H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride?
2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119741239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).