2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide

C20H31N3O2 — CID 134050112

IUPAC2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-15(21-19(25)20(2,3)4)18(24)22-17(14-23-12-8-9-13-23)16-10-6-5-7-11-16/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyYTFDFDMHDVFDOG-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.49
Rot. Bonds6

About 2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide

2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide (PubChem CID 134050112) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide
PubChem CID134050112
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide
SMILESCC(NC(=O)C(C)(C)C)C(=O)NC(CN1CCCC1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-15(21-19(25)20(2,3)4)18(24)22-17(14-23-12-8-9-13-23)16-10-6-5-7-11-16/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3,(H,21,25)(H,22,24)
InChIKeyYTFDFDMHDVFDOG-UHFFFAOYSA-N
XLogP2.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide with MolForge

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Related Compounds

N-[1-[(2-hydroxy-1-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 63182177
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2-(2-hydroxyphenyl)-2-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
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1-(1-hydroxypropan-2-yl)-3-(1-phenyl-2-pyrrolidin-1-ylethyl)urea
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2-(2-nitrophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]propanamide
CID 57020394
2,2-bis(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
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1-benzyl-3-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 51727871
4-[2-oxo-2-(propan-2-ylamino)ethyl]-N-(1-phenyl-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
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N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
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1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
2-[3-oxo-3-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propyl]benzoic acid
CID 57078839
N-[1-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide (CID 134050112) is 2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide is CC(NC(=O)C(C)(C)C)C(=O)NC(CN1CCCC1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide?
The InChIKey is YTFDFDMHDVFDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15(21-19(25)20(2,3)4)18(24)22-17(14-23-12-8-9-13-23)16-10-6-5-7-11-16/h5-7,10-11,15,17H,8-9,12-14H2,1-4H3,(H,21,25)(H,22,24).
What are the key properties of 2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide?
2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-oxo-1-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]propan-2-yl]propanamide is sourced from PubChem (CID 134050112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).