3-amino-N-[4-(methoxymethyl)phenyl]hexanamide

C14H22N2O2 — CID 114253146

IUPAC3-amino-N-[4-(methoxymethyl)phenyl]hexanamide
SMILESCCCC(N)CC(=O)Nc1ccc(COC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-12(15)9-14(17)16-13-7-5-11(6-8-13)10-18-2/h5-8,12H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyDIUDKWASDMJQKI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.29
Rot. Bonds7

About 3-amino-N-[4-(methoxymethyl)phenyl]hexanamide

3-amino-N-[4-(methoxymethyl)phenyl]hexanamide (PubChem CID 114253146) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-[4-(methoxymethyl)phenyl]hexanamide.

Molecular Properties

Compound Name3-amino-N-[4-(methoxymethyl)phenyl]hexanamide
PubChem CID114253146
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-[4-(methoxymethyl)phenyl]hexanamide
SMILESCCCC(N)CC(=O)Nc1ccc(COC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-12(15)9-14(17)16-13-7-5-11(6-8-13)10-18-2/h5-8,12H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyDIUDKWASDMJQKI-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581
3-amino-N-[6-(trifluoromethyl)-3-pyridinyl]hexanamide
CID 82817087
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
2-(1-aminocyclobutyl)-N-[4-(methoxymethyl)phenyl]acetamide
CID 114253141
2-amino-N-[4-(ethoxymethyl)phenyl]acetamide
CID 119340719
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
3-amino-N-phenylpentanamide
CID 79006475
(2R)-N-[4-(methoxymethyl)phenyl]-2-(tetradecanoylamino)butanediamide
CID 146382019
N-[4-(methoxymethyl)phenyl]-2-(tetradecanoylamino)butanediamide
CID 146382022
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488942
2-acetamido-6-amino-N-[4-(methoxymethyl)phenyl]hexanamide
CID 146383034

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(methoxymethyl)phenyl]hexanamide?
The IUPAC name of 3-amino-N-[4-(methoxymethyl)phenyl]hexanamide (CID 114253146) is 3-amino-N-[4-(methoxymethyl)phenyl]hexanamide.
What is the SMILES notation for 3-amino-N-[4-(methoxymethyl)phenyl]hexanamide?
The canonical SMILES for 3-amino-N-[4-(methoxymethyl)phenyl]hexanamide is CCCC(N)CC(=O)Nc1ccc(COC)cc1.
What is the InChIKey of 3-amino-N-[4-(methoxymethyl)phenyl]hexanamide?
The InChIKey is DIUDKWASDMJQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-12(15)9-14(17)16-13-7-5-11(6-8-13)10-18-2/h5-8,12H,3-4,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-[4-(methoxymethyl)phenyl]hexanamide?
3-amino-N-[4-(methoxymethyl)phenyl]hexanamide has a molecular weight of 250.34 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(methoxymethyl)phenyl]hexanamide is sourced from PubChem (CID 114253146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).