(3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide

C18H29N3O — CID 72857475

IUPAC(3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)[C@@H]1CN(C(=O)NCCc2ccccc2)C[C@H]1N(C)C
InChIInChI=1S/C18H29N3O/c1-14(2)16-12-21(13-17(16)20(3)4)18(22)19-11-10-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13H2,1-4H3,(H,19,22)/t16-,17+/m0/s1
InChIKeyWYTKCBOBENYVBV-DLBZAZTESA-N
MW303.45 g/mol
LogP2.46
Rot. Bonds5

About (3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide

(3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 72857475) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID72857475
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide
SMILESCC(C)[C@@H]1CN(C(=O)NCCc2ccccc2)C[C@H]1N(C)C
InChIInChI=1S/C18H29N3O/c1-14(2)16-12-21(13-17(16)20(3)4)18(22)19-11-10-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13H2,1-4H3,(H,19,22)/t16-,17+/m0/s1
InChIKeyWYTKCBOBENYVBV-DLBZAZTESA-N
XLogP2.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
1-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-4-phenylmethoxybutan-1-one
CID 72867423
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
4-(1-methylpiperidin-4-yl)-1-N-(2-phenylethyl)pyrrolidine-1,3-dicarboxamide
CID 156611174
6-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)-8-oxa-3-azabicyclo[3.2.1]octane-3,6-dicarboxamide
CID 134071828
2-[1-[2-(4-chlorophenyl)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682965
2-[1-(2-pyridin-4-ylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682944
3-[(6-methyl-2-pyridinyl)oxy]-N-(2-phenylethyl)azetidine-1-carboxamide
CID 122249689
2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 133112119
(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide
CID 94577627
3-(hydroxymethyl)-N-(3-phenylpropyl)azetidine-1-carboxamide
CID 121105872

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide (CID 72857475) is (3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide is CC(C)[C@@H]1CN(C(=O)NCCc2ccccc2)C[C@H]1N(C)C.
What is the InChIKey of (3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is WYTKCBOBENYVBV-DLBZAZTESA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(2)16-12-21(13-17(16)20(3)4)18(22)19-11-10-15-8-6-5-7-9-15/h5-9,14,16-17H,10-13H2,1-4H3,(H,19,22)/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide?
(3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 72857475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).