2-(4-amino-3-propylanilino)acetamide

C11H17N3O — CID 57173900

IUPAC2-(4-amino-3-propylanilino)acetamide
SMILESCCCc1cc(NCC(N)=O)ccc1N
InChIInChI=1S/C11H17N3O/c1-2-3-8-6-9(4-5-10(8)12)14-7-11(13)15/h4-6,14H,2-3,7,12H2,1H3,(H2,13,15)
InChIKeyJKJUNQRKIMJOIW-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.12
Rot. Bonds5

About 2-(4-amino-3-propylanilino)acetamide

2-(4-amino-3-propylanilino)acetamide (PubChem CID 57173900) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(4-amino-3-propylanilino)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-propylanilino)acetamide
PubChem CID57173900
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(4-amino-3-propylanilino)acetamide
SMILESCCCc1cc(NCC(N)=O)ccc1N
InChIInChI=1S/C11H17N3O/c1-2-3-8-6-9(4-5-10(8)12)14-7-11(13)15/h4-6,14H,2-3,7,12H2,1H3,(H2,13,15)
InChIKeyJKJUNQRKIMJOIW-UHFFFAOYSA-N
XLogP1.12
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-methyl-2-propylbenzene-1,4-diamine
CID 141261485
2-[2-amino-5-(ethylamino)phenyl]ethanol
CID 70494826
4-N,2-diethylbenzene-1,4-diamine
CID 69192870
1-(4-amino-3-propylanilino)ethanol
CID 57033695
4-N-(2-ethoxyethyl)-2-propylbenzene-1,4-diamine
CID 57203096
2-(3,4-dimethylanilino)acetamide
CID 28580413
2-(4-aminoanilino)acetamide
CID 19048353
4-N-(oxolan-2-ylmethyl)-2-propylbenzene-1,4-diamine
CID 57243340
N-[1-(4-amino-3-propylanilino)ethyl]methanesulfonamide
CID 57005789
2-[4-amino-3-(cyanomethyl)anilino]acetic acid
CID 102624226
2-(3-tert-butylanilino)acetamide
CID 59090676
2-[4-amino-3-(cyanomethyl)anilino]-N-tert-butylacetamide
CID 102624567

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-propylanilino)acetamide?
The IUPAC name of 2-(4-amino-3-propylanilino)acetamide (CID 57173900) is 2-(4-amino-3-propylanilino)acetamide.
What is the SMILES notation for 2-(4-amino-3-propylanilino)acetamide?
The canonical SMILES for 2-(4-amino-3-propylanilino)acetamide is CCCc1cc(NCC(N)=O)ccc1N.
What is the InChIKey of 2-(4-amino-3-propylanilino)acetamide?
The InChIKey is JKJUNQRKIMJOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-8-6-9(4-5-10(8)12)14-7-11(13)15/h4-6,14H,2-3,7,12H2,1H3,(H2,13,15).
What are the key properties of 2-(4-amino-3-propylanilino)acetamide?
2-(4-amino-3-propylanilino)acetamide has a molecular weight of 207.28 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-propylanilino)acetamide is sourced from PubChem (CID 57173900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).