N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide

C23H30FN3O3 — CID 59647432

IUPACN-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide
SMILESCCN(CC)Cc1cc(-c2cc(F)ccc2OC)ccc1NC(=O)N1CCOCC1
InChIInChI=1S/C23H30FN3O3/c1-4-26(5-2)16-18-14-17(20-15-19(24)7-9-22(20)29-3)6-8-21(18)25-23(28)27-10-12-30-13-11-27/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,25,28)
InChIKeyASKLQSAEPVVIFV-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.21
Rot. Bonds7

About N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide

N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide (PubChem CID 59647432) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide
PubChem CID59647432
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC NameN-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide
SMILESCCN(CC)Cc1cc(-c2cc(F)ccc2OC)ccc1NC(=O)N1CCOCC1
InChIInChI=1S/C23H30FN3O3/c1-4-26(5-2)16-18-14-17(20-15-19(24)7-9-22(20)29-3)6-8-21(18)25-23(28)27-10-12-30-13-11-27/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,25,28)
InChIKeyASKLQSAEPVVIFV-UHFFFAOYSA-N
XLogP4.21
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide (CID 59647432) is N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide is CCN(CC)Cc1cc(-c2cc(F)ccc2OC)ccc1NC(=O)N1CCOCC1.
What is the InChIKey of N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide?
The InChIKey is ASKLQSAEPVVIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3/c1-4-26(5-2)16-18-14-17(20-15-19(24)7-9-22(20)29-3)6-8-21(18)25-23(28)27-10-12-30-13-11-27/h6-9,14-15H,4-5,10-13,16H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide?
N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylaminomethyl)-4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 59647432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).