3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide

C21H25N3O3 — CID 97133696

IUPAC3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
SMILESCN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cccc(OCC(N)=O)c1
InChIInChI=1S/C21H25N3O3/c1-23(13-16-10-11-24(14-16)18-7-3-2-4-8-18)21(26)17-6-5-9-19(12-17)27-15-20(22)25/h2-9,12,16H,10-11,13-15H2,1H3,(H2,22,25)/t16-/m1/s1
InChIKeyMXUZNMGRTMZYJL-MRXNPFEDSA-N
MW367.45 g/mol
LogP2.15
Rot. Bonds7

About 3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide

3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide (PubChem CID 97133696) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
PubChem CID97133696
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
SMILESCN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cccc(OCC(N)=O)c1
InChIInChI=1S/C21H25N3O3/c1-23(13-16-10-11-24(14-16)18-7-3-2-4-8-18)21(26)17-6-5-9-19(12-17)27-15-20(22)25/h2-9,12,16H,10-11,13-15H2,1H3,(H2,22,25)/t16-/m1/s1
InChIKeyMXUZNMGRTMZYJL-MRXNPFEDSA-N
XLogP2.15
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-N-methyl-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 96581020
2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 96575921
2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70778468
3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
N,1-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96578217
1-[3-[[(3-ethoxybenzoyl)-methylamino]methyl]phenyl]piperidine-4-carboxylic acid
CID 110495402
3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 35689866
2-chloro-4-[[methyl-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]carbamoyl]amino]benzamide
CID 125177981

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide (CID 97133696) is 3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide is CN(C[C@H]1CCN(c2ccccc2)C1)C(=O)c1cccc(OCC(N)=O)c1.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide?
The InChIKey is MXUZNMGRTMZYJL-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23(13-16-10-11-24(14-16)18-7-3-2-4-8-18)21(26)17-6-5-9-19(12-17)27-15-20(22)25/h2-9,12,16H,10-11,13-15H2,1H3,(H2,22,25)/t16-/m1/s1.
What are the key properties of 3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide?
3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethoxy)-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 97133696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).