2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide

C15H20N2O2 — CID 154359257

IUPAC2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1cc(C(C)C(N)=O)ccc1C(=O)N1CCCC1
InChIInChI=1S/C15H20N2O2/c1-10-9-12(11(2)14(16)18)5-6-13(10)15(19)17-7-3-4-8-17/h5-6,9,11H,3-4,7-8H2,1-2H3,(H2,16,18)
InChIKeyYJAJMAFGSUHRDJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.82
Rot. Bonds3

About 2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide

2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 154359257) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID154359257
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1cc(C(C)C(N)=O)ccc1C(=O)N1CCCC1
InChIInChI=1S/C15H20N2O2/c1-10-9-12(11(2)14(16)18)5-6-13(10)15(19)17-7-3-4-8-17/h5-6,9,11H,3-4,7-8H2,1-2H3,(H2,16,18)
InChIKeyYJAJMAFGSUHRDJ-UHFFFAOYSA-N
XLogP1.82
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide
CID 66934139
2-(piperidine-1-carbonyl)-5-propan-2-ylbenzamide
CID 68832507
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
CID 130546505
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(4-ethynyl-2-methylphenyl)-pyrrolidin-1-ylmethanone
CID 87085173
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592
3-[2-amino-1-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]ethyl]-4-hydroxybenzonitrile
CID 70131491
(2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide
CID 154255414
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2-methylphenyl)methanone;hydrochloride
CID 119518483
1-(2,4-dimethylbenzoyl)piperidin-4-one
CID 24709834

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 154359257) is 2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide is Cc1cc(C(C)C(N)=O)ccc1C(=O)N1CCCC1.
What is the InChIKey of 2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is YJAJMAFGSUHRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-9-12(11(2)14(16)18)5-6-13(10)15(19)17-7-3-4-8-17/h5-6,9,11H,3-4,7-8H2,1-2H3,(H2,16,18).
What are the key properties of 2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 260.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 154359257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).