N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide

C18H22N2O — CID 11543737

IUPACN-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide
SMILESCCC(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1
InChIInChI=1S/C18H22N2O/c1-2-18(21)20(17-9-10-19-12-17)13-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,17,19H,2,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeyRCMGBZYHSPTETA-QGZVFWFLSA-N
MW282.39 g/mol
LogP2.94
Rot. Bonds4

About N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide

N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide (PubChem CID 11543737) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide
PubChem CID11543737
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide
SMILESCCC(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1
InChIInChI=1S/C18H22N2O/c1-2-18(21)20(17-9-10-19-12-17)13-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,17,19H,2,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeyRCMGBZYHSPTETA-QGZVFWFLSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide?
The IUPAC name of N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide (CID 11543737) is N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide is CCC(=O)N(Cc1ccc2ccccc2c1)[C@@H]1CCNC1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide?
The InChIKey is RCMGBZYHSPTETA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-18(21)20(17-9-10-19-12-17)13-14-7-8-15-5-3-4-6-16(15)11-14/h3-8,11,17,19H,2,9-10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide?
N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide has a molecular weight of 282.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-N-[(3R)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 11543737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).