2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide

C17H26N2O2 — CID 111543826

IUPAC2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)C(C)N1CCC(CO)C1
InChIInChI=1S/C17H26N2O2/c1-13-6-4-5-7-16(13)11-18(3)17(21)14(2)19-9-8-15(10-19)12-20/h4-7,14-15,20H,8-12H2,1-3H3
InChIKeyYOCSUQFIQKWJKV-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.66
Rot. Bonds5

About 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 111543826) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
PubChem CID111543826
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)C(C)N1CCC(CO)C1
InChIInChI=1S/C17H26N2O2/c1-13-6-4-5-7-16(13)11-18(3)17(21)14(2)19-9-8-15(10-19)12-20/h4-7,14-15,20H,8-12H2,1-3H3
InChIKeyYOCSUQFIQKWJKV-UHFFFAOYSA-N
XLogP1.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110877728
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-phenyl-1,4-diazepan-1-yl)propanamide
CID 112843115
2-(2,3-dihydroindol-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 112810869
N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543768
N-methyl-N-[(2-methylphenyl)methyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 112811168
N,4-dimethyl-N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 116654477
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394
2-(3-hydroxypyrrolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 62916160
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide (CID 111543826) is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CN(C)C(=O)C(C)N1CCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is YOCSUQFIQKWJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-4-5-7-16(13)11-18(3)17(21)14(2)19-9-8-15(10-19)12-20/h4-7,14-15,20H,8-12H2,1-3H3.
What are the key properties of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 111543826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).