2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide

C19H24N2O2 — CID 111442554

IUPAC2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCC(CO)C1)c1cccc2ccccc12
InChIInChI=1S/C19H24N2O2/c1-14(17-8-4-6-16-5-2-3-7-18(16)17)20-19(23)12-21-10-9-15(11-21)13-22/h2-8,14-15,22H,9-13H2,1H3,(H,20,23)
InChIKeyMUJLDACAVQZSBP-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.33
Rot. Bonds5

About 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide

2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide (PubChem CID 111442554) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
PubChem CID111442554
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCC(CO)C1)c1cccc2ccccc12
InChIInChI=1S/C19H24N2O2/c1-14(17-8-4-6-16-5-2-3-7-18(16)17)20-19(23)12-21-10-9-15(11-21)13-22/h2-8,14-15,22H,9-13H2,1H3,(H,20,23)
InChIKeyMUJLDACAVQZSBP-UHFFFAOYSA-N
XLogP2.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
3-[1-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 122101268
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 110891543
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 41104934
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 60525714
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 119918090
N-[(1R)-1-naphthalen-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 95276423
N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30625656
N-(2-methoxyethyl)-2-[4-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 24507241
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 115647928

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide (CID 111442554) is 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide is CC(NC(=O)CN1CCC(CO)C1)c1cccc2ccccc12.
What is the InChIKey of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?
The InChIKey is MUJLDACAVQZSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(17-8-4-6-16-5-2-3-7-18(16)17)20-19(23)12-21-10-9-15(11-21)13-22/h2-8,14-15,22H,9-13H2,1H3,(H,20,23).
What are the key properties of 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide?
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide has a molecular weight of 312.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide is sourced from PubChem (CID 111442554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).