4-amino-3-propoxy-N-propylbenzamide

C13H20N2O2 — CID 82069804

IUPAC4-amino-3-propoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N)c(OCCC)c1
InChIInChI=1S/C13H20N2O2/c1-3-7-15-13(16)10-5-6-11(14)12(9-10)17-8-4-2/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyBPZRPOPISOFHSL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.20
Rot. Bonds6

About 4-amino-3-propoxy-N-propylbenzamide

4-amino-3-propoxy-N-propylbenzamide (PubChem CID 82069804) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-3-propoxy-N-propylbenzamide.

Molecular Properties

Compound Name4-amino-3-propoxy-N-propylbenzamide
PubChem CID82069804
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-3-propoxy-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N)c(OCCC)c1
InChIInChI=1S/C13H20N2O2/c1-3-7-15-13(16)10-5-6-11(14)12(9-10)17-8-4-2/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyBPZRPOPISOFHSL-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-propylbenzamide
CID 67095444
4-amino-N-ethyl-3-pentoxybenzamide
CID 63358644
4-amino-3-propoxybenzamide
CID 63356295
4-amino-N-ethyl-3-(2-hydroxyethoxy)benzamide
CID 63358641
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
4-amino-3-(2-chlorophenoxy)-N-propylbenzamide
CID 23106204
3-amino-N-(3-butoxypropyl)-4-propoxybenzamide
CID 110496597
N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376
4-amino-N-butyl-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070083
N-(2-acetamidoethyl)-4-amino-3-[2-(dimethylamino)ethoxy]benzamide
CID 93216697
3-amino-N-[3-(diethylamino)propyl]-4-propoxybenzamide
CID 93216760
4-amino-3-butoxy-N-propan-2-ylbenzamide
CID 82069845

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-propoxy-N-propylbenzamide?
The IUPAC name of 4-amino-3-propoxy-N-propylbenzamide (CID 82069804) is 4-amino-3-propoxy-N-propylbenzamide.
What is the SMILES notation for 4-amino-3-propoxy-N-propylbenzamide?
The canonical SMILES for 4-amino-3-propoxy-N-propylbenzamide is CCCNC(=O)c1ccc(N)c(OCCC)c1.
What is the InChIKey of 4-amino-3-propoxy-N-propylbenzamide?
The InChIKey is BPZRPOPISOFHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-7-15-13(16)10-5-6-11(14)12(9-10)17-8-4-2/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-3-propoxy-N-propylbenzamide?
4-amino-3-propoxy-N-propylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-propoxy-N-propylbenzamide is sourced from PubChem (CID 82069804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).