N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

C26H31N3O2 — CID 142931521

IUPACN-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCN(C(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCC2)cc1.CNC
InChIInChI=1S/C24H24N2O2.C2H7N/c1-25(20-11-13-21(14-12-20)26-17-5-6-18-26)24(27)19-9-15-23(16-10-19)28-22-7-3-2-4-8-22;1-3-2/h2-4,7-16H,5-6,17-18H2,1H3;3H,1-2H3
InChIKeyXOWXRMKIDLFOJD-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.19
Rot. Bonds5

About N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 142931521) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound NameN-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID142931521
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC NameN-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCN(C(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCC2)cc1.CNC
InChIInChI=1S/C24H24N2O2.C2H7N/c1-25(20-11-13-21(14-12-20)26-17-5-6-18-26)24(27)19-9-15-23(16-10-19)28-22-7-3-2-4-8-22;1-3-2/h2-4,7-16H,5-6,17-18H2,1H3;3H,1-2H3
InChIKeyXOWXRMKIDLFOJD-UHFFFAOYSA-N
XLogP5.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.19
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

3-benzyl-1-methyl-1-(4-pyrrolidin-1-ylphenyl)urea
CID 110752184
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
N-[3-fluoro-4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-N-methyl-4-phenoxybenzamide
CID 58867111
4-(4-hydroxypiperidin-1-yl)-N-methyl-N-phenylbenzamide
CID 111331488
4-cyclohex-2-en-1-yloxy-N-methyl-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 142931597
4-(4-fluorophenoxy)-N-methyl-N-phenylbenzamide
CID 25491019
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-methyl-N-phenylbenzamide
CID 110417503
(2R)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100502277
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108520940
N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
CID 7582084
5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109241324
4-(4-methoxyphenoxy)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 127038740

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 142931521) is N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is CN(C(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(N2CCCC2)cc1.CNC.
What is the InChIKey of N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is XOWXRMKIDLFOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2.C2H7N/c1-25(20-11-13-21(14-12-20)26-17-5-6-18-26)24(27)19-9-15-23(16-10-19)28-22-7-3-2-4-8-22;1-3-2/h2-4,7-16H,5-6,17-18H2,1H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 417.55 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;N-methyl-4-phenoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 142931521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).