(2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide

C23H24N2O3 — CID 124736764

IUPAC(2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide
SMILESC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C23H24N2O3/c1-16(28-21-10-6-8-18-7-4-5-9-20(18)21)23(27)24-19-13-11-17(12-14-19)15-22(26)25(2)3/h4-14,16H,15H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyPDAVUAIHJGOBBO-INIZCTEOSA-N
MW376.46 g/mol
LogP3.88
Rot. Bonds6

About (2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide

(2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide (PubChem CID 124736764) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide
PubChem CID124736764
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name(2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide
SMILESC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C23H24N2O3/c1-16(28-21-10-6-8-18-7-4-5-9-20(18)21)23(27)24-19-13-11-17(12-14-19)15-22(26)25(2)3/h4-14,16H,15H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyPDAVUAIHJGOBBO-INIZCTEOSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate
CID 119049617
(2R)-N-[3-(methoxymethyl)phenyl]-2-naphthalen-1-yloxypropanamide
CID 99840317
(2S)-N-(4-ethylphenyl)-2-naphthalen-1-yloxybutanamide
CID 92683938
2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 43915055
2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4943540
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119719016
(2R)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxypropanamide
CID 94015852
(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 99131609
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965
(2S)-N-(4-ethylphenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 38017067
N-[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187934
2-[4-[2-(dimethylamino)-2-oxoethyl]anilino]-N-(2-ethoxyphenyl)propanamide
CID 60542586

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide?
The IUPAC name of (2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide (CID 124736764) is (2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide.
What is the SMILES notation for (2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide?
The canonical SMILES for (2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide is C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CC(=O)N(C)C)cc1.
What is the InChIKey of (2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide?
The InChIKey is PDAVUAIHJGOBBO-INIZCTEOSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16(28-21-10-6-8-18-7-4-5-9-20(18)21)23(27)24-19-13-11-17(12-14-19)15-22(26)25(2)3/h4-14,16H,15H2,1-3H3,(H,24,27)/t16-/m0/s1.
What are the key properties of (2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide?
(2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide has a molecular weight of 376.46 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-naphthalen-1-yloxypropanamide is sourced from PubChem (CID 124736764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).