4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide

C18H23N3O3 — CID 119847529

IUPAC4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)CCCN)ccn2)cc1
InChIInChI=1S/C18H23N3O3/c1-2-23-15-5-7-16(8-6-15)24-18-12-14(9-11-20-18)13-21-17(22)4-3-10-19/h5-9,11-12H,2-4,10,13,19H2,1H3,(H,21,22)
InChIKeyIKTPCDBDGDLQGO-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.63
Rot. Bonds9

About 4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide

4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide (PubChem CID 119847529) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
PubChem CID119847529
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)CCCN)ccn2)cc1
InChIInChI=1S/C18H23N3O3/c1-2-23-15-5-7-16(8-6-15)24-18-12-14(9-11-20-18)13-21-17(22)4-3-10-19/h5-9,11-12H,2-4,10,13,19H2,1H3,(H,21,22)
InChIKeyIKTPCDBDGDLQGO-UHFFFAOYSA-N
XLogP2.63
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide
CID 87005868
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
2-cyclohexyl-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 55887691
2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
CID 55888077
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]propanamide
CID 55945803
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47063430
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 55887692
1-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111000480
(E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 60534017
(2S,5R)-5-(aminomethyl)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120797985

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide (CID 119847529) is 4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide is CCOc1ccc(Oc2cc(CNC(=O)CCCN)ccn2)cc1.
What is the InChIKey of 4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide?
The InChIKey is IKTPCDBDGDLQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-23-15-5-7-16(8-6-15)24-18-12-14(9-11-20-18)13-21-17(22)4-3-10-19/h5-9,11-12H,2-4,10,13,19H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide?
4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide has a molecular weight of 329.40 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide is sourced from PubChem (CID 119847529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).