N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide

C19H24N2O3 — CID 87005868

IUPACN-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1
InChIInChI=1S/C19H24N2O3/c1-3-4-5-6-18(22)21-14-15-11-12-20-19(13-15)24-17-9-7-16(23-2)8-10-17/h7-13H,3-6,14H2,1-2H3,(H,21,22)
InChIKeyVQXCEUJHCGHAKI-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.08
Rot. Bonds9

About N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide

N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide (PubChem CID 87005868) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide
PubChem CID87005868
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide
SMILESCCCCCC(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1
InChIInChI=1S/C19H24N2O3/c1-3-4-5-6-18(22)21-14-15-11-12-20-19(13-15)24-17-9-7-16(23-2)8-10-17/h7-13H,3-6,14H2,1-2H3,(H,21,22)
InChIKeyVQXCEUJHCGHAKI-UHFFFAOYSA-N
XLogP4.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
2-(cyclopropylmethylamino)-N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 119847908
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
1-(furan-2-ylmethyl)-3-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]urea
CID 86998881
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide
CID 51104118
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62321833
1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841826

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide?
The IUPAC name of N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide (CID 87005868) is N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide.
What is the SMILES notation for N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide?
The canonical SMILES for N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide is CCCCCC(=O)NCc1ccnc(Oc2ccc(OC)cc2)c1.
What is the InChIKey of N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide?
The InChIKey is VQXCEUJHCGHAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-4-5-6-18(22)21-14-15-11-12-20-19(13-15)24-17-9-7-16(23-2)8-10-17/h7-13H,3-6,14H2,1-2H3,(H,21,22).
What are the key properties of N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide?
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide has a molecular weight of 328.41 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide is sourced from PubChem (CID 87005868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).