N-[1,3-bis(4-aminophenyl)propyl]acetamide

C17H21N3O — CID 28680

IUPACN-[1,3-bis(4-aminophenyl)propyl]acetamide
SMILESCC(=O)NC(CCc1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C17H21N3O/c1-12(21)20-17(14-5-9-16(19)10-6-14)11-4-13-2-7-15(18)8-3-13/h2-3,5-10,17H,4,11,18-19H2,1H3,(H,20,21)
InChIKeyRHNCZCKFXXVROF-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.66
Rot. Bonds5

About N-[1,3-bis(4-aminophenyl)propyl]acetamide

N-[1,3-bis(4-aminophenyl)propyl]acetamide (PubChem CID 28680) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[1,3-bis(4-aminophenyl)propyl]acetamide.

Molecular Properties

Compound NameN-[1,3-bis(4-aminophenyl)propyl]acetamide
PubChem CID28680
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[1,3-bis(4-aminophenyl)propyl]acetamide
SMILESCC(=O)NC(CCc1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C17H21N3O/c1-12(21)20-17(14-5-9-16(19)10-6-14)11-4-13-2-7-15(18)8-3-13/h2-3,5-10,17H,4,11,18-19H2,1H3,(H,20,21)
InChIKeyRHNCZCKFXXVROF-UHFFFAOYSA-N
XLogP2.66
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(4-aminophenyl)propyl]acetamide?
The IUPAC name of N-[1,3-bis(4-aminophenyl)propyl]acetamide (CID 28680) is N-[1,3-bis(4-aminophenyl)propyl]acetamide.
What is the SMILES notation for N-[1,3-bis(4-aminophenyl)propyl]acetamide?
The canonical SMILES for N-[1,3-bis(4-aminophenyl)propyl]acetamide is CC(=O)NC(CCc1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of N-[1,3-bis(4-aminophenyl)propyl]acetamide?
The InChIKey is RHNCZCKFXXVROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(21)20-17(14-5-9-16(19)10-6-14)11-4-13-2-7-15(18)8-3-13/h2-3,5-10,17H,4,11,18-19H2,1H3,(H,20,21).
What are the key properties of N-[1,3-bis(4-aminophenyl)propyl]acetamide?
N-[1,3-bis(4-aminophenyl)propyl]acetamide has a molecular weight of 283.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(4-aminophenyl)propyl]acetamide is sourced from PubChem (CID 28680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).