3-[4-(hexylamino)phenoxy]propanamide

C15H24N2O2 — CID 43676527

IUPAC3-[4-(hexylamino)phenoxy]propanamide
SMILESCCCCCCNc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-11-17-13-6-8-14(9-7-13)19-12-10-15(16)18/h6-9,17H,2-5,10-12H2,1H3,(H2,16,18)
InChIKeyXMTVTNSNMJCDDS-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.93
Rot. Bonds10

About 3-[4-(hexylamino)phenoxy]propanamide

3-[4-(hexylamino)phenoxy]propanamide (PubChem CID 43676527) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[4-(hexylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(hexylamino)phenoxy]propanamide
PubChem CID43676527
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[4-(hexylamino)phenoxy]propanamide
SMILESCCCCCCNc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C15H24N2O2/c1-2-3-4-5-11-17-13-6-8-14(9-7-13)19-12-10-15(16)18/h6-9,17H,2-5,10-12H2,1H3,(H2,16,18)
InChIKeyXMTVTNSNMJCDDS-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-butoxy-N-butylaniline
CID 15112153
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916
[4-(heptadecylamino)phenyl] 2-oxopropanoate
CID 70544891
N-decyl-4-(10,10-difluorodecoxy)aniline
CID 151807579
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015
N'-tert-butyl-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806949
[4-(octadecylamino)-7-oxocyclohepta-1,3,5-trien-1-yl] 4-butoxybenzoate
CID 101121533
5-[(4-butoxyphenyl)methylamino]pentanamide
CID 106233532
(2-amino-2-oxoethyl) 4-(decylamino)benzoate
CID 23457837
3-(4-hydroxyphenoxy)-N-methylpropanamide;octadecanamide
CID 18183865
[4-(hexadecylamino)-7-oxocyclohepta-1,3,5-trien-1-yl] 4-octadecoxybenzoate
CID 101121530
(4-octoxy-7-oxocyclohepta-1,3,5-trien-1-yl) 4-(dodecylamino)benzoate
CID 101121540

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hexylamino)phenoxy]propanamide?
The IUPAC name of 3-[4-(hexylamino)phenoxy]propanamide (CID 43676527) is 3-[4-(hexylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[4-(hexylamino)phenoxy]propanamide?
The canonical SMILES for 3-[4-(hexylamino)phenoxy]propanamide is CCCCCCNc1ccc(OCCC(N)=O)cc1.
What is the InChIKey of 3-[4-(hexylamino)phenoxy]propanamide?
The InChIKey is XMTVTNSNMJCDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-4-5-11-17-13-6-8-14(9-7-13)19-12-10-15(16)18/h6-9,17H,2-5,10-12H2,1H3,(H2,16,18).
What are the key properties of 3-[4-(hexylamino)phenoxy]propanamide?
3-[4-(hexylamino)phenoxy]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hexylamino)phenoxy]propanamide is sourced from PubChem (CID 43676527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).