3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide

C15H25N3O2 — CID 117097751

IUPAC3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1ccc(NCCCN)cc1
InChIInChI=1S/C15H25N3O2/c1-12(2)18-15(19)8-11-20-14-6-4-13(5-7-14)17-10-3-9-16/h4-7,12,17H,3,8-11,16H2,1-2H3,(H,18,19)
InChIKeyRBSUCJVGUVBQGO-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.74
Rot. Bonds9

About 3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide

3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide (PubChem CID 117097751) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide
PubChem CID117097751
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1ccc(NCCCN)cc1
InChIInChI=1S/C15H25N3O2/c1-12(2)18-15(19)8-11-20-14-6-4-13(5-7-14)17-10-3-9-16/h4-7,12,17H,3,8-11,16H2,1-2H3,(H,18,19)
InChIKeyRBSUCJVGUVBQGO-UHFFFAOYSA-N
XLogP1.74
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-aminopropylamino)phenoxy]propanoic acid
CID 117097707
N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine
CID 117097736
3-(4-butan-2-ylphenoxy)-N-propan-2-ylpropanamide
CID 107669047
N-(3-aminopropyl)-3-(4-ethylphenoxy)propanamide
CID 110834162
3-[4-(hexylamino)phenoxy]propanamide
CID 43676527
3-[4-(aminomethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 102723750
4-butoxy-N-butylaniline
CID 15112153
3-(4-methylanilino)-N-propan-2-ylpropanamide
CID 60644223
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147025
3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 62625154
N'-(4-but-3-enoxyphenyl)propane-1,3-diamine
CID 117097752
N-(1-aminopropan-2-yl)-3-(4-propan-2-ylphenoxy)propanamide
CID 110834337

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide (CID 117097751) is 3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOc1ccc(NCCCN)cc1.
What is the InChIKey of 3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide?
The InChIKey is RBSUCJVGUVBQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)18-15(19)8-11-20-14-6-4-13(5-7-14)17-10-3-9-16/h4-7,12,17H,3,8-11,16H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide?
3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 117097751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).