N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide

C23H26N2O3 — CID 139417969

IUPACN-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide
SMILESCc1ccc(C#Cc2ccc(NC=O)cc2)cc1OCCCN1CCOCC1
InChIInChI=1S/C23H26N2O3/c1-19-3-4-21(6-5-20-7-9-22(10-8-20)24-18-26)17-23(19)28-14-2-11-25-12-15-27-16-13-25/h3-4,7-10,17-18H,2,11-16H2,1H3,(H,24,26)
InChIKeyRERGIGDPNFCMGA-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.06
Rot. Bonds7

About N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide

N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide (PubChem CID 139417969) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide
PubChem CID139417969
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide
SMILESCc1ccc(C#Cc2ccc(NC=O)cc2)cc1OCCCN1CCOCC1
InChIInChI=1S/C23H26N2O3/c1-19-3-4-21(6-5-20-7-9-22(10-8-20)24-18-26)17-23(19)28-14-2-11-25-12-15-27-16-13-25/h3-4,7-10,17-18H,2,11-16H2,1H3,(H,24,26)
InChIKeyRERGIGDPNFCMGA-UHFFFAOYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 10356088
N-[5-[2-[4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]-2-pyridinyl]formamide
CID 139417982
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
N-[[4-[[2-[4-[2-(4-chlorophenyl)ethynyl]-2-methylphenoxy]ethylamino]methyl]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 10482177
N-methyl-2-morpholin-4-ylethanamine;N-(4-methylphenyl)formamide
CID 143489582
3-methyl-4-(3-morpholin-4-ylpropoxy)aniline
CID 171834800
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]urea
CID 118665886
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
1-[4-methyl-3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylurea
CID 90894366
4-[3-(4-tert-butyl-2-methylphenoxy)propyl]morpholine
CID 2582852
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
4-[2-[4-(3-chloroprop-1-ynyl)-2-methylphenoxy]ethyl]morpholine
CID 63214676

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide?
The IUPAC name of N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide (CID 139417969) is N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide.
What is the SMILES notation for N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide?
The canonical SMILES for N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide is Cc1ccc(C#Cc2ccc(NC=O)cc2)cc1OCCCN1CCOCC1.
What is the InChIKey of N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide?
The InChIKey is RERGIGDPNFCMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-19-3-4-21(6-5-20-7-9-22(10-8-20)24-18-26)17-23(19)28-14-2-11-25-12-15-27-16-13-25/h3-4,7-10,17-18H,2,11-16H2,1H3,(H,24,26).
What are the key properties of N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide?
N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide has a molecular weight of 378.47 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-methyl-3-(3-morpholin-4-ylpropoxy)phenyl]ethynyl]phenyl]formamide is sourced from PubChem (CID 139417969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).