3-[4-(cyclohexylmethylamino)phenoxy]propanamide

C16H24N2O2 — CID 43676559

IUPAC3-[4-(cyclohexylmethylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c17-16(19)10-11-20-15-8-6-14(7-9-15)18-12-13-4-2-1-3-5-13/h6-9,13,18H,1-5,10-12H2,(H2,17,19)
InChIKeyXOBVAVARXXWLMZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.93
Rot. Bonds7

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

3-[4-(cyclohexylmethylamino)phenoxy]propanamide (PubChem CID 43676559) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[4-(cyclohexylmethylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-(cyclohexylmethylamino)phenoxy]propanamide
PubChem CID43676559
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[4-(cyclohexylmethylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccc(NCC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c17-16(19)10-11-20-15-8-6-14(7-9-15)18-12-13-4-2-1-3-5-13/h6-9,13,18H,1-5,10-12H2,(H2,17,19)
InChIKeyXOBVAVARXXWLMZ-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
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'}

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Related Compounds

3-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenoxy]propanamide
CID 62066716
3-[4-(1-cyclopentylethylamino)phenoxy]propanamide
CID 62631553
N-(cyclohexylmethyl)-4-(3-methylbutoxy)aniline
CID 54799314
2-[4-(cyclopentylmethoxy)anilino]acetamide
CID 69098932
2-[4-[(1-methylpiperidin-3-yl)methylamino]phenoxy]acetamide
CID 62654732
4-(cyclobutylmethylamino)benzamide
CID 65459398
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
2-[3-(cyclohexylmethylamino)phenoxy]acetamide
CID 43720202
3-[4-[(2-piperidin-4-ylacetyl)amino]phenoxy]propanamide
CID 119733584
4-(cyclooctylmethylamino)phenol
CID 53404225
3-[4-(hexylamino)phenoxy]propanamide
CID 43676527
3-[4-(2-bicyclo[2.2.1]heptanylamino)phenoxy]propanamide
CID 61308781

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylmethylamino)phenoxy]propanamide?
The IUPAC name of 3-[4-(cyclohexylmethylamino)phenoxy]propanamide (CID 43676559) is 3-[4-(cyclohexylmethylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[4-(cyclohexylmethylamino)phenoxy]propanamide?
The canonical SMILES for 3-[4-(cyclohexylmethylamino)phenoxy]propanamide is NC(=O)CCOc1ccc(NCC2CCCCC2)cc1.
What is the InChIKey of 3-[4-(cyclohexylmethylamino)phenoxy]propanamide?
The InChIKey is XOBVAVARXXWLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-16(19)10-11-20-15-8-6-14(7-9-15)18-12-13-4-2-1-3-5-13/h6-9,13,18H,1-5,10-12H2,(H2,17,19).
What are the key properties of 3-[4-(cyclohexylmethylamino)phenoxy]propanamide?
3-[4-(cyclohexylmethylamino)phenoxy]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylmethylamino)phenoxy]propanamide is sourced from PubChem (CID 43676559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).