(3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide

C18H28ClN3O — CID 99626919

IUPAC(3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
SMILESCN(C)C[C@H]1CCN(C(=O)NCC(C)(C)c2ccccc2Cl)C1
InChIInChI=1S/C18H28ClN3O/c1-18(2,15-7-5-6-8-16(15)19)13-20-17(23)22-10-9-14(12-22)11-21(3)4/h5-8,14H,9-13H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyMDGFQLCTQRPXRX-CQSZACIVSA-N
MW337.89 g/mol
LogP3.21
Rot. Bonds5

About (3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide

(3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide (PubChem CID 99626919) has the molecular formula C18H28ClN3O and a molecular weight of 337.89 g/mol. Its IUPAC name is (3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
PubChem CID99626919
Molecular FormulaC18H28ClN3O
Molecular Weight337.89 g/mol
Exact Mass337.19
IUPAC Name(3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
SMILESCN(C)C[C@H]1CCN(C(=O)NCC(C)(C)c2ccccc2Cl)C1
InChIInChI=1S/C18H28ClN3O/c1-18(2,15-7-5-6-8-16(15)19)13-20-17(23)22-10-9-14(12-22)11-21(3)4/h5-8,14H,9-13H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyMDGFQLCTQRPXRX-CQSZACIVSA-N
XLogP3.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[[2-(2-chlorophenyl)-2-methylpropyl]carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122000631
N-[2-(2-chlorophenyl)-2-methylpropyl]-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111735030
2-(2-chlorophenyl)-1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 94796002
1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025380
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]pyrrolidine-1,3-dicarboxamide
CID 154775414
ethyl 1-[N-[2-(2-chlorophenyl)-2-methylpropyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156880
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-chlorophenyl)-2-methylpropan-1-one
CID 125134449
N-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylpyrrolidine-3-carboxamide
CID 110246573
(3S)-3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 99626273
3-[(dimethylamino)methyl]-N-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 91661425
N-[2-(4-chlorophenyl)-2-methylpropyl]-3-methylpyrrolidine-1-carboxamide
CID 86880870
(3S)-3-[(dimethylamino)methyl]-N-[(1R)-1-(2-methoxyphenyl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide
CID 99856503

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide (CID 99626919) is (3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide is CN(C)C[C@H]1CCN(C(=O)NCC(C)(C)c2ccccc2Cl)C1.
What is the InChIKey of (3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide?
The InChIKey is MDGFQLCTQRPXRX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28ClN3O/c1-18(2,15-7-5-6-8-16(15)19)13-20-17(23)22-10-9-14(12-22)11-21(3)4/h5-8,14H,9-13H2,1-4H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide?
(3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide has a molecular weight of 337.89 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99626919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).