N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide

C21H22N2O2 — CID 110745516

IUPACN-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
SMILESCN(Cc1cnc2ccccc2c1)C(=O)CCCOc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-23(16-17-14-18-8-5-6-11-20(18)22-15-17)21(24)12-7-13-25-19-9-3-2-4-10-19/h2-6,8-11,14-15H,7,12-13,16H2,1H3
InChIKeyXIXSLOIGIKJXJA-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.05
Rot. Bonds7

About N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide

N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide (PubChem CID 110745516) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide.

Molecular Properties

Compound NameN-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
PubChem CID110745516
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
SMILESCN(Cc1cnc2ccccc2c1)C(=O)CCCOc1ccccc1
InChIInChI=1S/C21H22N2O2/c1-23(16-17-14-18-8-5-6-11-20(18)22-15-17)21(24)12-7-13-25-19-9-3-2-4-10-19/h2-6,8-11,14-15H,7,12-13,16H2,1H3
InChIKeyXIXSLOIGIKJXJA-UHFFFAOYSA-N
XLogP4.05
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
N-[(4-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 78770382
N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 86975850
3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733874
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
3-(2-phenoxyethyl)quinoline
CID 54129983
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 95230216
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenoxybutanamide
CID 8875186
2-fluoro-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733867
[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 55304647
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide?
The IUPAC name of N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide (CID 110745516) is N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide.
What is the SMILES notation for N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide?
The canonical SMILES for N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide is CN(Cc1cnc2ccccc2c1)C(=O)CCCOc1ccccc1.
What is the InChIKey of N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide?
The InChIKey is XIXSLOIGIKJXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-23(16-17-14-18-8-5-6-11-20(18)22-15-17)21(24)12-7-13-25-19-9-3-2-4-10-19/h2-6,8-11,14-15H,7,12-13,16H2,1H3.
What are the key properties of N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide?
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide has a molecular weight of 334.42 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide is sourced from PubChem (CID 110745516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).