4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide

C25H32N2O3 — CID 92614110

IUPAC4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
SMILESCc1cccc(C2(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CCOCC2)c1
InChIInChI=1S/C25H32N2O3/c1-19-4-3-5-22(18-19)25(10-14-29-15-11-25)24(28)26-20(2)21-6-8-23(9-7-21)27-12-16-30-17-13-27/h3-9,18,20H,10-17H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKeyYQAAVLIZEGKJKB-HXUWFJFHSA-N
MW408.54 g/mol
LogP3.76
Rot. Bonds5

About 4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide

4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide (PubChem CID 92614110) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
PubChem CID92614110
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
SMILESCc1cccc(C2(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CCOCC2)c1
InChIInChI=1S/C25H32N2O3/c1-19-4-3-5-22(18-19)25(10-14-29-15-11-25)24(28)26-20(2)21-6-8-23(9-7-21)27-12-16-30-17-13-27/h3-9,18,20H,10-17H2,1-2H3,(H,26,28)/t20-/m1/s1
InChIKeyYQAAVLIZEGKJKB-HXUWFJFHSA-N
XLogP3.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide
CID 48664321
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 46977488
4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614088
(E)-3-(3-methylphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 48664048
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-4-phenyloxane-4-carboxamide
CID 100771023
2-[(3-methylphenyl)carbamoylamino]-N-[1-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 48681572
1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
CID 22605465
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100688576
4-[1-[[4-(3-cyclohexyloxyphenyl)oxane-4-carbonyl]amino]ethyl]benzoic acid
CID 174186478
4-(aminomethyl)-N-[(1R)-1-(3-methylphenyl)ethyl]oxane-4-carboxamide
CID 115439767
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
CID 59527765
1-(3-methylphenyl)-N-[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 95164056

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide (CID 92614110) is 4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide is Cc1cccc(C2(C(=O)N[C@H](C)c3ccc(N4CCOCC4)cc3)CCOCC2)c1.
What is the InChIKey of 4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide?
The InChIKey is YQAAVLIZEGKJKB-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19-4-3-5-22(18-19)25(10-14-29-15-11-25)24(28)26-20(2)21-6-8-23(9-7-21)27-12-16-30-17-13-27/h3-9,18,20H,10-17H2,1-2H3,(H,26,28)/t20-/m1/s1.
What are the key properties of 4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide?
4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 92614110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).