N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide

C20H25N3O3 — CID 37491143

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C20H25N3O3/c24-19(9-5-13-26-18-7-2-1-3-8-18)22-16-17-6-4-10-21-20(17)23-11-14-25-15-12-23/h1-4,6-8,10H,5,9,11-16H2,(H,22,24)
InChIKeySRLCKJLKGOAVJJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.39
Rot. Bonds8

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide (PubChem CID 37491143) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
PubChem CID37491143
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C20H25N3O3/c24-19(9-5-13-26-18-7-2-1-3-8-18)22-16-17-6-4-10-21-20(17)23-11-14-25-15-12-23/h1-4,6-8,10H,5,9,11-16H2,(H,22,24)
InChIKeySRLCKJLKGOAVJJ-UHFFFAOYSA-N
XLogP2.39
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(2-phenoxyethyl)guanidine
CID 111004615
4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 38541510
2-[4-(4-methylphenoxy)phenoxy]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 38544288
4-(4-methylphenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
CID 39248691
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
CID 55830826
2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
4-(4-methylphenoxy)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 31968271
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97081544
N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide
CID 110405008
2-(2,4-dioxopyrimidin-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 37489706
1-[2-(methoxymethyl)phenyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 55704978

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide (CID 37491143) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCc1cccnc1N1CCOCC1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide?
The InChIKey is SRLCKJLKGOAVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-19(9-5-13-26-18-7-2-1-3-8-18)22-16-17-6-4-10-21-20(17)23-11-14-25-15-12-23/h1-4,6-8,10H,5,9,11-16H2,(H,22,24).
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide has a molecular weight of 355.44 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide is sourced from PubChem (CID 37491143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).