3-(4-propylanilino)propanamide

C12H18N2O — CID 43244066

IUPAC3-(4-propylanilino)propanamide
SMILESCCCc1ccc(NCCC(N)=O)cc1
InChIInChI=1S/C12H18N2O/c1-2-3-10-4-6-11(7-5-10)14-9-8-12(13)15/h4-7,14H,2-3,8-9H2,1H3,(H2,13,15)
InChIKeyAXEFBCWETODEJS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.93
Rot. Bonds6

About 3-(4-propylanilino)propanamide

3-(4-propylanilino)propanamide (PubChem CID 43244066) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(4-propylanilino)propanamide.

Molecular Properties

Compound Name3-(4-propylanilino)propanamide
PubChem CID43244066
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(4-propylanilino)propanamide
SMILESCCCc1ccc(NCCC(N)=O)cc1
InChIInChI=1S/C12H18N2O/c1-2-3-10-4-6-11(7-5-10)14-9-8-12(13)15/h4-7,14H,2-3,8-9H2,1H3,(H2,13,15)
InChIKeyAXEFBCWETODEJS-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromoanilino)propanamide;ethane
CID 169234714
2-(4-propylanilino)ethanethiol
CID 115223632
3-(3,4-dimethylanilino)propanamide
CID 43131963
N-propyl-2-(4-propylanilino)acetamide
CID 43216175
6-(4-propylanilino)hexan-1-ol
CID 103868001
3-[4-(methylsulfamoyl)anilino]propanamide
CID 43553678
3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
CID 62146441
3-[4-(butylcarbamoylamino)phenyl]propanamide
CID 91054834
methyl 3-[4-(butylamino)phenyl]propanoate
CID 71061016
2-amino-N-(4-propylphenyl)acetamide
CID 43216495
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
[4-(propylamino)phenyl]urea
CID 43745026

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylanilino)propanamide?
The IUPAC name of 3-(4-propylanilino)propanamide (CID 43244066) is 3-(4-propylanilino)propanamide.
What is the SMILES notation for 3-(4-propylanilino)propanamide?
The canonical SMILES for 3-(4-propylanilino)propanamide is CCCc1ccc(NCCC(N)=O)cc1.
What is the InChIKey of 3-(4-propylanilino)propanamide?
The InChIKey is AXEFBCWETODEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-3-10-4-6-11(7-5-10)14-9-8-12(13)15/h4-7,14H,2-3,8-9H2,1H3,(H2,13,15).
What are the key properties of 3-(4-propylanilino)propanamide?
3-(4-propylanilino)propanamide has a molecular weight of 206.29 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylanilino)propanamide is sourced from PubChem (CID 43244066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).