1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide

C25H30ClN3O3 — CID 60536152

IUPAC1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)c1
InChIInChI=1S/C25H30ClN3O3/c26-21-7-5-20(6-8-21)25(10-2-11-25)24(31)27-18-19-3-1-4-22(17-19)28-23(30)9-12-29-13-15-32-16-14-29/h1,3-8,17H,2,9-16,18H2,(H,27,31)(H,28,30)
InChIKeyZIDGGSLCOWSDNN-UHFFFAOYSA-N
MW455.99 g/mol
LogP3.74
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide (PubChem CID 60536152) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide
PubChem CID60536152
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC Name1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)c1
InChIInChI=1S/C25H30ClN3O3/c26-21-7-5-20(6-8-21)25(10-2-11-25)24(31)27-18-19-3-1-4-22(17-19)28-23(30)9-12-29-13-15-32-16-14-29/h1,3-8,17H,2,9-16,18H2,(H,27,31)(H,28,30)
InChIKeyZIDGGSLCOWSDNN-UHFFFAOYSA-N
XLogP3.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849215
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
3-morpholin-4-yl-N-[3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide;dihydrochloride
CID 119849221
3-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-1-oxo-4H-isochromene-3-carboxamide
CID 55887724
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714
1-[4-(butanoylamino)phenyl]-N-(2-morpholin-4-ylethyl)cyclobutane-1-carboxamide
CID 50827153
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide
CID 119849198
N-[3-[[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111000690
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide (CID 60536152) is 1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide is O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)C2(c3ccc(Cl)cc3)CCC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide?
The InChIKey is ZIDGGSLCOWSDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c26-21-7-5-20(6-8-21)25(10-2-11-25)24(31)27-18-19-3-1-4-22(17-19)28-23(30)9-12-29-13-15-32-16-14-29/h1,3-8,17H,2,9-16,18H2,(H,27,31)(H,28,30).
What are the key properties of 1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide has a molecular weight of 455.99 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 60536152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).