2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide

C19H24N2O2 — CID 111431815

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(CN1CCCC1CCCO)Nc1cccc2ccccc12
InChIInChI=1S/C19H24N2O2/c22-13-5-9-16-8-4-12-21(16)14-19(23)20-18-11-3-7-15-6-1-2-10-17(15)18/h1-3,6-7,10-11,16,22H,4-5,8-9,12-14H2,(H,20,23)
InChIKeyKYDKAPKPNAZSAQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.02
Rot. Bonds6

About 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 111431815) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID111431815
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
SMILESO=C(CN1CCCC1CCCO)Nc1cccc2ccccc12
InChIInChI=1S/C19H24N2O2/c22-13-5-9-16-8-4-12-21(16)14-19(23)20-18-11-3-7-15-6-1-2-10-17(15)18/h1-3,6-7,10-11,16,22H,4-5,8-9,12-14H2,(H,20,23)
InChIKeyKYDKAPKPNAZSAQ-UHFFFAOYSA-N
XLogP3.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(hydroxymethyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 110880917
N-(2,3-dichlorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466913
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110918990
N-(4-chloro-2-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62466914
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 62467819
N-(4-amino-2-methylphenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467867
N-(4-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467277
3-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-1-benzothiophene-2-carboxylic acid
CID 110162224
N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467691
2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 124744377
2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]-N-naphthalen-1-ylacetamide
CID 119050828
2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626153

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide (CID 111431815) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide is O=C(CN1CCCC1CCCO)Nc1cccc2ccccc12.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is KYDKAPKPNAZSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-13-5-9-16-8-4-12-21(16)14-19(23)20-18-11-3-7-15-6-1-2-10-17(15)18/h1-3,6-7,10-11,16,22H,4-5,8-9,12-14H2,(H,20,23).
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 312.41 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 111431815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).