3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide

C16H24N2O — CID 55165528

IUPAC3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)C1(C)CCNC1
InChIInChI=1S/C16H24N2O/c1-12-6-4-5-7-14(12)10-13(2)18-15(19)16(3)8-9-17-11-16/h4-7,13,17H,8-11H2,1-3H3,(H,18,19)
InChIKeyADZGLLGPNDRJPS-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.04
Rot. Bonds4

About 3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide

3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide (PubChem CID 55165528) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
PubChem CID55165528
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
SMILESCc1ccccc1CC(C)NC(=O)C1(C)CCNC1
InChIInChI=1S/C16H24N2O/c1-12-6-4-5-7-14(12)10-13(2)18-15(19)16(3)8-9-17-11-16/h4-7,13,17H,8-11H2,1-3H3,(H,18,19)
InChIKeyADZGLLGPNDRJPS-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylphenyl)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926238
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxamide
CID 63122933
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119796250
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
4-(aminomethyl)-N-[1-(2-methylphenyl)propan-2-yl]oxane-4-carboxamide
CID 115439164
(2S)-2-[(3-methylpyrrolidine-3-carbonyl)amino]-4-phenylbutanoic acid
CID 104983323
N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119860550
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide (CID 55165528) is 3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide is Cc1ccccc1CC(C)NC(=O)C1(C)CCNC1.
What is the InChIKey of 3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is ADZGLLGPNDRJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-6-4-5-7-14(12)10-13(2)18-15(19)16(3)8-9-17-11-16/h4-7,13,17H,8-11H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide?
3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55165528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).