2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide

C18H28N2O — CID 136529286

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(C)N1CCC(C)(C)C1
InChIInChI=1S/C18H28N2O/c1-14-7-5-6-8-16(14)9-11-19-17(21)15(2)20-12-10-18(3,4)13-20/h5-8,15H,9-13H2,1-4H3,(H,19,21)
InChIKeyLRXHNUURBUSUDP-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.77
Rot. Bonds5

About 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide

2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 136529286) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID136529286
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(C)N1CCC(C)(C)C1
InChIInChI=1S/C18H28N2O/c1-14-7-5-6-8-16(14)9-11-19-17(21)15(2)20-12-10-18(3,4)13-20/h5-8,15H,9-13H2,1-4H3,(H,19,21)
InChIKeyLRXHNUURBUSUDP-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[2-(2-methylphenyl)ethyl]propanamide
CID 110884150
4-[[2-(3,3-dimethylpyrrolidin-1-yl)propanoylamino]methyl]benzoic acid
CID 138045796
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
CID 71896107
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
1-(hydroxymethyl)-N-[2-(2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115182408
4-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 79749001
N-[2-(2-hydroxyphenyl)ethyl]-2-morpholin-4-ylpropanamide
CID 110483744
3-methyl-N-[2-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 79749345
2-[[(3S)-3-methyl-1-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]pyrrolidin-3-yl]amino]acetic acid
CID 129325168
1-[2-(2-methylphenyl)ethylcarbamoylamino]cyclopropane-1-carboxylic acid
CID 79756956

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide (CID 136529286) is 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1CCNC(=O)C(C)N1CCC(C)(C)C1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is LRXHNUURBUSUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-7-5-6-8-16(14)9-11-19-17(21)15(2)20-12-10-18(3,4)13-20/h5-8,15H,9-13H2,1-4H3,(H,19,21).
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide?
2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 288.44 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidin-1-yl)-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 136529286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).