(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide

C16H24N2O — CID 131942484

IUPAC(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CCCNC(=O)[C@@H]2CCCN2C)c1
InChIInChI=1S/C16H24N2O/c1-13-6-3-7-14(12-13)8-4-10-17-16(19)15-9-5-11-18(15)2/h3,6-7,12,15H,4-5,8-11H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyVALNHRONSKIJEK-HNNXBMFYSA-N
MW260.38 g/mol
LogP2.14
Rot. Bonds5

About (2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide

(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide (PubChem CID 131942484) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide
PubChem CID131942484
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(CCCNC(=O)[C@@H]2CCCN2C)c1
InChIInChI=1S/C16H24N2O/c1-13-6-3-7-14(12-13)8-4-10-17-16(19)15-9-5-11-18(15)2/h3,6-7,12,15H,4-5,8-11H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyVALNHRONSKIJEK-HNNXBMFYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 46774026
(3R)-1-[(2-chlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-3-carboxamide
CID 94021178
1-methyl-N-[1-[(3-methylphenyl)methyl]cyclopropyl]azepane-2-carboxamide
CID 72857651
(3R)-1-(4-fluorophenyl)sulfonyl-N-[3-(3-methylphenyl)propyl]piperidine-3-carboxamide
CID 100669260
1-(4-fluorophenyl)sulfonyl-N-[3-(3-methylphenyl)propyl]piperidine-3-carboxamide
CID 133168217
(2S)-2-N-[3-(3-fluorophenyl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969846
1-methyl-N-[(3-phenylphenyl)methyl]pyrrolidine-2-carboxamide
CID 146358334
N-[3-(4-fluorophenoxy)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110627319
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110630522
N-[3-(1,1-dioxothiolan-3-yl)propyl]-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 110419524
2-(3-methylphenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 139829326
N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
CID 142213067

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide (CID 131942484) is (2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide is Cc1cccc(CCCNC(=O)[C@@H]2CCCN2C)c1.
What is the InChIKey of (2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide?
The InChIKey is VALNHRONSKIJEK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-6-3-7-14(12-13)8-4-10-17-16(19)15-9-5-11-18(15)2/h3,6-7,12,15H,4-5,8-11H2,1-2H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide?
(2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-N-[3-(3-methylphenyl)propyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 131942484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).