N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide

C26H27N3O3 — CID 78883848

IUPACN-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-19-16-22(29-14-5-6-15-29)12-13-24(19)28-25(30)18-32-23-11-7-10-21(17-23)27-26(31)20-8-3-2-4-9-20/h2-4,7-13,16-17H,5-6,14-15,18H2,1H3,(H,27,31)(H,28,30)
InChIKeySKFJBFYRPBVGFT-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.87
Rot. Bonds7

About N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide

N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide (PubChem CID 78883848) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide
PubChem CID78883848
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H27N3O3/c1-19-16-22(29-14-5-6-15-29)12-13-24(19)28-25(30)18-32-23-11-7-10-21(17-23)27-26(31)20-8-3-2-4-9-20/h2-4,7-13,16-17H,5-6,14-15,18H2,1H3,(H,27,31)(H,28,30)
InChIKeySKFJBFYRPBVGFT-UHFFFAOYSA-N
XLogP4.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.87
H-Bond Donors ≤ 52
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

N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 55400343
[4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 2233816
N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46563897
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide
CID 67124692
N-[3-[2-[(2-methylphenyl)methylamino]-2-oxoethoxy]phenyl]benzamide
CID 78883847
2-(2-chlorophenoxy)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 31288745
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
2-(4-fluorophenoxy)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18082370

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide?
The IUPAC name of N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide (CID 78883848) is N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide.
What is the SMILES notation for N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide?
The canonical SMILES for N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide is Cc1cc(N2CCCC2)ccc1NC(=O)COc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide?
The InChIKey is SKFJBFYRPBVGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-16-22(29-14-5-6-15-29)12-13-24(19)28-25(30)18-32-23-11-7-10-21(17-23)27-26(31)20-8-3-2-4-9-20/h2-4,7-13,16-17H,5-6,14-15,18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide?
N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide is sourced from PubChem (CID 78883848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).