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

C23H26N2O3 — CID 9054255

IUPAC(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccccc3OC)ccc2c1
InChIInChI=1S/C23H26N2O3/c1-16(23(26)24-21-7-5-6-8-22(21)28-4)25(2)15-17-9-10-19-14-20(27-3)12-11-18(19)13-17/h5-14,16H,15H2,1-4H3,(H,24,26)/t16-/m0/s1
InChIKeyQKAOJUOLMMLSPC-INIZCTEOSA-N
MW378.47 g/mol
LogP4.32
Rot. Bonds7

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

(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide (PubChem CID 9054255) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
PubChem CID9054255
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccccc3OC)ccc2c1
InChIInChI=1S/C23H26N2O3/c1-16(23(26)24-21-7-5-6-8-22(21)28-4)25(2)15-17-9-10-19-14-20(27-3)12-11-18(19)13-17/h5-14,16H,15H2,1-4H3,(H,24,26)/t16-/m0/s1
InChIKeyQKAOJUOLMMLSPC-INIZCTEOSA-N
XLogP4.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 42911817
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
N-(2-methoxyphenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 46573624
(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 9357067
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-methylphenyl)propanamide
CID 25482866
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9054254
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide
CID 86918893
4-[[(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanoyl]amino]benzamide
CID 9054222
(2R)-N-[(4-fluorophenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]propanamide
CID 41375901
N-(2,5-dimethoxyphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 51171449
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 8798163
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 8925163

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide (CID 9054255) is (2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide is COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccccc3OC)ccc2c1.
What is the InChIKey of (2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is QKAOJUOLMMLSPC-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16(23(26)24-21-7-5-6-8-22(21)28-4)25(2)15-17-9-10-19-14-20(27-3)12-11-18(19)13-17/h5-14,16H,15H2,1-4H3,(H,24,26)/t16-/m0/s1.
What are the key properties of (2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide?
(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 378.47 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 9054255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).