4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide

C26H35N3O2 — CID 58867737

IUPAC4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3ccc(OCC4CCCCC4)cc3)cc2)C1
InChIInChI=1S/C26H35N3O2/c1-28(2)24-16-17-29(18-24)23-12-10-22(11-13-23)27-26(30)21-8-14-25(15-9-21)31-19-20-6-4-3-5-7-20/h8-15,20,24H,3-7,16-19H2,1-2H3,(H,27,30)
InChIKeyQIVJVCGLXGDDJZ-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.04
Rot. Bonds7

About 4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide

4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide (PubChem CID 58867737) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
PubChem CID58867737
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)c3ccc(OCC4CCCCC4)cc3)cc2)C1
InChIInChI=1S/C26H35N3O2/c1-28(2)24-16-17-29(18-24)23-12-10-22(11-13-23)27-26(30)21-8-14-25(15-9-21)31-19-20-6-4-3-5-7-20/h8-15,20,24H,3-7,16-19H2,1-2H3,(H,27,30)
InChIKeyQIVJVCGLXGDDJZ-UHFFFAOYSA-N
XLogP5.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
4-(cyclopropanecarbonylamino)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867523
N-[4-[(3aS,6aS)-5-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]phenyl]-4-(cyclohexylmethoxy)benzamide
CID 59558048
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 58866547
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[(6-methyl-4,5-dihydropyridazin-3-yl)oxy]benzamide
CID 90751752
6-butoxy-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide
CID 21105532
4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]-3-fluorophenyl]-N-methylbenzamide
CID 58867425
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-4-but-3-enoxybenzamide
CID 58867337
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
N-[4-[3-(cyclohexylamino)pyrrolidin-1-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 21105605
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 21105613
4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 131944928

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide?
The IUPAC name of 4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide (CID 58867737) is 4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide?
The canonical SMILES for 4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide is CN(C)C1CCN(c2ccc(NC(=O)c3ccc(OCC4CCCCC4)cc3)cc2)C1.
What is the InChIKey of 4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide?
The InChIKey is QIVJVCGLXGDDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-28(2)24-16-17-29(18-24)23-12-10-22(11-13-23)27-26(30)21-8-14-25(15-9-21)31-19-20-6-4-3-5-7-20/h8-15,20,24H,3-7,16-19H2,1-2H3,(H,27,30).
What are the key properties of 4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide?
4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide has a molecular weight of 421.59 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 58867737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).