2-(3-aminophenyl)-N-propylacetamide

C11H16N2O — CID 28689659

IUPAC2-(3-aminophenyl)-N-propylacetamide
SMILESCCCNC(=O)Cc1cccc(N)c1
InChIInChI=1S/C11H16N2O/c1-2-6-13-11(14)8-9-4-3-5-10(12)7-9/h3-5,7H,2,6,8,12H2,1H3,(H,13,14)
InChIKeySLWQDMOTVOFGSG-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.34
Rot. Bonds4

About 2-(3-aminophenyl)-N-propylacetamide

2-(3-aminophenyl)-N-propylacetamide (PubChem CID 28689659) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-propylacetamide
PubChem CID28689659
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-(3-aminophenyl)-N-propylacetamide
SMILESCCCNC(=O)Cc1cccc(N)c1
InChIInChI=1S/C11H16N2O/c1-2-6-13-11(14)8-9-4-3-5-10(12)7-9/h3-5,7H,2,6,8,12H2,1H3,(H,13,14)
InChIKeySLWQDMOTVOFGSG-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
CID 62500011
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide
CID 55084090
2-(3-aminophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62498674
2-[3-(3-aminophenyl)propylsulfanyl]-N-propylacetamide
CID 114234291
N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62553117
2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide
CID 65349832
2-(3-aminophenyl)-N-(5-oxopentyl)acetamide
CID 59992785
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957
4-(3-aminophenyl)-4-oxo-N-propylbutanamide
CID 94262243
2-(3-aminophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 28711954

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-propylacetamide?
The IUPAC name of 2-(3-aminophenyl)-N-propylacetamide (CID 28689659) is 2-(3-aminophenyl)-N-propylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-propylacetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-propylacetamide is CCCNC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-propylacetamide?
The InChIKey is SLWQDMOTVOFGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-6-13-11(14)8-9-4-3-5-10(12)7-9/h3-5,7H,2,6,8,12H2,1H3,(H,13,14).
What are the key properties of 2-(3-aminophenyl)-N-propylacetamide?
2-(3-aminophenyl)-N-propylacetamide has a molecular weight of 192.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-propylacetamide is sourced from PubChem (CID 28689659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).