N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide

C23H27ClN2O2 — CID 60596926

IUPACN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C23H27ClN2O2/c24-20-9-7-18(8-10-20)21(26-13-15-28-16-14-26)17-25-22(27)23(11-4-12-23)19-5-2-1-3-6-19/h1-3,5-10,21H,4,11-17H2,(H,25,27)
InChIKeyMNYYHHRHNDLSDL-UHFFFAOYSA-N
MW398.93 g/mol
LogP3.95
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 60596926) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID60596926
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC NameN-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)C1(c2ccccc2)CCC1
InChIInChI=1S/C23H27ClN2O2/c24-20-9-7-18(8-10-20)21(26-13-15-28-16-14-26)17-25-22(27)23(11-4-12-23)19-5-2-1-3-6-19/h1-3,5-10,21H,4,11-17H2,(H,25,27)
InChIKeyMNYYHHRHNDLSDL-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774
1-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide
CID 119853255
4-(aminomethyl)-N-(2-morpholin-4-yl-2-phenylethyl)oxane-4-carboxamide;dihydrochloride
CID 120939367
4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide
CID 92612290
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56512944
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
2,4-dichloro-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 46578639
5-chloro-N-(2-morpholin-4-yl-2-phenylethyl)furan-2-carboxamide
CID 86922955
4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide
CID 46978034
(E)-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-phenylprop-2-enamide
CID 110302697
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119867130

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide (CID 60596926) is N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide is O=C(NCC(c1ccc(Cl)cc1)N1CCOCC1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is MNYYHHRHNDLSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c24-20-9-7-18(8-10-20)21(26-13-15-28-16-14-26)17-25-22(27)23(11-4-12-23)19-5-2-1-3-6-19/h1-3,5-10,21H,4,11-17H2,(H,25,27).
What are the key properties of N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide?
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 60596926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).