(2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide

C17H27N3O — CID 97406735

IUPAC(2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC[C@@H](N(C)C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-13(2)18-17(21)20-11-10-15(19(3)4)16(20)12-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3,(H,18,21)/t15-,16+/m1/s1
InChIKeyQSXBZVUCLLYXIO-CVEARBPZSA-N
MW289.42 g/mol
LogP2.35
Rot. Bonds4

About (2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide

(2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 97406735) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID97406735
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC[C@@H](N(C)C)[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-13(2)18-17(21)20-11-10-15(19(3)4)16(20)12-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3,(H,18,21)/t15-,16+/m1/s1
InChIKeyQSXBZVUCLLYXIO-CVEARBPZSA-N
XLogP2.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6931391
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CID 6459037
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CID 322644
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CID 31899116
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CID 3236942
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CID 3241808
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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide (CID 97406735) is (2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide is CC(C)NC(=O)N1CC[C@@H](N(C)C)[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is QSXBZVUCLLYXIO-CVEARBPZSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)18-17(21)20-11-10-15(19(3)4)16(20)12-14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3,(H,18,21)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide?
(2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-3-(dimethylamino)-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97406735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).