(2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide

C20H25NO3 — CID 111471262

IUPAC(2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NCC3CCCC3O)ccc2c1
InChIInChI=1S/C20H25NO3/c1-13(20(23)21-12-17-4-3-5-19(17)22)14-6-7-16-11-18(24-2)9-8-15(16)10-14/h6-11,13,17,19,22H,3-5,12H2,1-2H3,(H,21,23)/t13-,17?,19?/m0/s1
InChIKeyZQMZMBCGEQZJTE-LJSZUPLFSA-N
MW327.42 g/mol
LogP3.23
Rot. Bonds5

About (2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 111471262) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID111471262
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)NCC3CCCC3O)ccc2c1
InChIInChI=1S/C20H25NO3/c1-13(20(23)21-12-17-4-3-5-19(17)22)14-6-7-16-11-18(24-2)9-8-15(16)10-14/h6-11,13,17,19,22H,3-5,12H2,1-2H3,(H,21,23)/t13-,17?,19?/m0/s1
InChIKeyZQMZMBCGEQZJTE-LJSZUPLFSA-N
XLogP3.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304
N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 119505947
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 106591529
(2S)-N-(4-methoxycyclohexyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 163313623
[2-(6-methoxynaphthalen-2-yl)propanoylamino]methyl methanesulfonate
CID 18682703
disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate
CID 70291925
N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42917740
N-cyclohexyl-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 74853038

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 111471262) is (2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide is COc1ccc2cc([C@H](C)C(=O)NCC3CCCC3O)ccc2c1.
What is the InChIKey of (2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is ZQMZMBCGEQZJTE-LJSZUPLFSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13(20(23)21-12-17-4-3-5-19(17)22)14-6-7-16-11-18(24-2)9-8-15(16)10-14/h6-11,13,17,19,22H,3-5,12H2,1-2H3,(H,21,23)/t13-,17?,19?/m0/s1.
What are the key properties of (2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 327.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 111471262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).