2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

C17H26N2O3 — CID 110919010

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1CCCC1CCCO
InChIInChI=1S/C17H26N2O3/c1-13-7-8-16(22-2)15(11-13)18-17(21)12-19-9-3-5-14(19)6-4-10-20/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3,(H,18,21)
InChIKeyMGMBOCXVIXTXCV-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.18
Rot. Bonds7

About 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 110919010) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID110919010
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1CCCC1CCCO
InChIInChI=1S/C17H26N2O3/c1-13-7-8-16(22-2)15(11-13)18-17(21)12-19-9-3-5-14(19)6-4-10-20/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3,(H,18,21)
InChIKeyMGMBOCXVIXTXCV-UHFFFAOYSA-N
XLogP2.18
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 94824962
methyl 2-[1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidin-2-yl]acetate
CID 47060322
(2S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910879
N-(2-methoxy-5-methylphenyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51172175
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467867
N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 25470768
N-(4-chloro-2-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466914
N-(2-bromo-4-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690080
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
N-(2-bromo-4-methylphenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942430
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110918990
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111431815

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 110919010) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN1CCCC1CCCO.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is MGMBOCXVIXTXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-7-8-16(22-2)15(11-13)18-17(21)12-19-9-3-5-14(19)6-4-10-20/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3,(H,18,21).
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 110919010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).