N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide

C22H27N3O2 — CID 166189898

IUPACN'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide
SMILESCc1cccc(CN(C)C(=O)C(=O)NCc2ccccc2N2CCCC2)c1
InChIInChI=1S/C22H27N3O2/c1-17-8-7-9-18(14-17)16-24(2)22(27)21(26)23-15-19-10-3-4-11-20(19)25-12-5-6-13-25/h3-4,7-11,14H,5-6,12-13,15-16H2,1-2H3,(H,23,26)
InChIKeyCEXSHODXXGDHDA-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.87
Rot. Bonds5

About N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide

N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide (PubChem CID 166189898) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide
PubChem CID166189898
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide
SMILESCc1cccc(CN(C)C(=O)C(=O)NCc2ccccc2N2CCCC2)c1
InChIInChI=1S/C22H27N3O2/c1-17-8-7-9-18(14-17)16-24(2)22(27)21(26)23-15-19-10-3-4-11-20(19)25-12-5-6-13-25/h3-4,7-11,14H,5-6,12-13,15-16H2,1-2H3,(H,23,26)
InChIKeyCEXSHODXXGDHDA-UHFFFAOYSA-N
XLogP2.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-benzyl-1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]thiourea
CID 8561913
2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
2,6-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]quinoline-3-carboxamide
CID 55984779
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
(2R)-2-methoxy-2-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 94866137
2-(benzylcarbamoylamino)-N,3-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 78863297
1-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3-[(2-piperidin-1-ylphenyl)methyl]urea
CID 110013047
ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921193
1-hydroxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907044
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
N-ethyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43221678

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide?
The IUPAC name of N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide (CID 166189898) is N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide.
What is the SMILES notation for N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide?
The canonical SMILES for N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide is Cc1cccc(CN(C)C(=O)C(=O)NCc2ccccc2N2CCCC2)c1.
What is the InChIKey of N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide?
The InChIKey is CEXSHODXXGDHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-8-7-9-18(14-17)16-24(2)22(27)21(26)23-15-19-10-3-4-11-20(19)25-12-5-6-13-25/h3-4,7-11,14H,5-6,12-13,15-16H2,1-2H3,(H,23,26).
What are the key properties of N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide?
N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide has a molecular weight of 365.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(3-methylphenyl)methyl]-N-[(2-pyrrolidin-1-ylphenyl)methyl]oxamide is sourced from PubChem (CID 166189898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).