N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide

C16H22N2O3 — CID 102737920

IUPACN-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCC(C)C2CO)cc1
InChIInChI=1S/C16H22N2O3/c1-11-3-5-13(6-4-11)16(21)17-9-15(20)18-8-7-12(2)14(18)10-19/h3-6,12,14,19H,7-10H2,1-2H3,(H,17,21)
InChIKeyGJNZXSAQIONDSZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.95
Rot. Bonds4

About N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide

N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide (PubChem CID 102737920) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide
PubChem CID102737920
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCC(C)C2CO)cc1
InChIInChI=1S/C16H22N2O3/c1-11-3-5-13(6-4-11)16(21)17-9-15(20)18-8-7-12(2)14(18)10-19/h3-6,12,14,19H,7-10H2,1-2H3,(H,17,21)
InChIKeyGJNZXSAQIONDSZ-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 102738082
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 102738084
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-(4-methylphenyl)sulfanylpropan-1-one
CID 102785232
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 43403363
2-(cyclopropylmethylamino)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102780606
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 102738061
3-[2-[(4-methylbenzoyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359216
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
ethyl 2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetate
CID 102784479
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(methylamino)phenyl]methanone
CID 102789296

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide (CID 102737920) is N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC(=O)N2CCC(C)C2CO)cc1.
What is the InChIKey of N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide?
The InChIKey is GJNZXSAQIONDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-3-5-13(6-4-11)16(21)17-9-15(20)18-8-7-12(2)14(18)10-19/h3-6,12,14,19H,7-10H2,1-2H3,(H,17,21).
What are the key properties of N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide?
N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide has a molecular weight of 290.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylbenzamide is sourced from PubChem (CID 102737920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).