N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide

C26H30N2O3 — CID 55713133

IUPACN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C26H30N2O3/c1-27(20-21-11-13-23(14-12-21)28-15-18-30-19-16-28)26(29)10-5-17-31-25-9-4-7-22-6-2-3-8-24(22)25/h2-4,6-9,11-14H,5,10,15-20H2,1H3
InChIKeyLWIHQRLXDDVXGE-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.49
Rot. Bonds8

About N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide (PubChem CID 55713133) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide
PubChem CID55713133
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C26H30N2O3/c1-27(20-21-11-13-23(14-12-21)28-15-18-30-19-16-28)26(29)10-5-17-31-25-9-4-7-22-6-2-3-8-24(22)25/h2-4,6-9,11-14H,5,10,15-20H2,1H3
InChIKeyLWIHQRLXDDVXGE-UHFFFAOYSA-N
XLogP4.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide
CID 60518694
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
3-(furan-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013135
N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide
CID 56564245
4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 55826912
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24551831
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 26973103
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 26972821
1-methoxy-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]isoquinoline-3-carboxamide
CID 99783936
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013163

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide?
The IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide (CID 55713133) is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCCOc1cccc2ccccc12.
What is the InChIKey of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide?
The InChIKey is LWIHQRLXDDVXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-27(20-21-11-13-23(14-12-21)28-15-18-30-19-16-28)26(29)10-5-17-31-25-9-4-7-22-6-2-3-8-24(22)25/h2-4,6-9,11-14H,5,10,15-20H2,1H3.
What are the key properties of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide?
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide has a molecular weight of 418.54 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 55713133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).