N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide

C23H29N3O2 — CID 131890040

IUPACN-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide
SMILESCc1ccccc1N1CCC(CNC(=O)c2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C23H29N3O2/c1-18-4-2-3-5-22(18)26-11-10-19(17-26)16-24-23(27)20-6-8-21(9-7-20)25-12-14-28-15-13-25/h2-9,19H,10-17H2,1H3,(H,24,27)
InChIKeyGJCYBIXRCPACKZ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.09
Rot. Bonds5

About N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide

N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide (PubChem CID 131890040) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide
PubChem CID131890040
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide
SMILESCc1ccccc1N1CCC(CNC(=O)c2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C23H29N3O2/c1-18-4-2-3-5-22(18)26-11-10-19(17-26)16-24-23(27)20-6-8-21(9-7-20)25-12-14-28-15-13-25/h2-9,19H,10-17H2,1H3,(H,24,27)
InChIKeyGJCYBIXRCPACKZ-UHFFFAOYSA-N
XLogP3.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 91777956
4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 118778689
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 38442601
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-morpholin-4-ylbenzamide
CID 72860096
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-methylbenzamide
CID 110640547
N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
CID 72844031
N-[[(3R)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 97124788
4-(methanesulfonamido)-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 47026976
N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52508647
N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-propylpyrimidine-5-carboxamide
CID 125168380
2-methyl-5-morpholin-4-ylsulfonyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55652342
5-bromo-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 47055377

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide (CID 131890040) is N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide is Cc1ccccc1N1CCC(CNC(=O)c2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide?
The InChIKey is GJCYBIXRCPACKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-4-2-3-5-22(18)26-11-10-19(17-26)16-24-23(27)20-6-8-21(9-7-20)25-12-14-28-15-13-25/h2-9,19H,10-17H2,1H3,(H,24,27).
What are the key properties of N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide?
N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 131890040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).