N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide

C28H28N2O2 — CID 24956981

IUPACN-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide
SMILESCOc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1N(C)C(=O)c1ccccc1
InChIInChI=1S/C28H28N2O2/c1-20(24-15-9-13-22-10-7-8-14-25(22)24)29-19-21-16-17-27(32-3)26(18-21)30(2)28(31)23-11-5-4-6-12-23/h4-18,20,29H,19H2,1-3H3/t20-/m1/s1
InChIKeyJVXALWDTZHBFEE-HXUWFJFHSA-N
MW424.54 g/mol
LogP5.98
Rot. Bonds7

About N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide

N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide (PubChem CID 24956981) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide
PubChem CID24956981
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC NameN-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide
SMILESCOc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1N(C)C(=O)c1ccccc1
InChIInChI=1S/C28H28N2O2/c1-20(24-15-9-13-22-10-7-8-14-25(22)24)29-19-21-16-17-27(32-3)26(18-21)30(2)28(31)23-11-5-4-6-12-23/h4-18,20,29H,19H2,1-3H3/t20-/m1/s1
InChIKeyJVXALWDTZHBFEE-HXUWFJFHSA-N
XLogP5.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide with MolForge

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 18357734
4-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]piperidine-1-carboxylic acid
CID 150451049
3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide
CID 97230706
4-[(2S)-2-[(4-hydroxy-3-methoxyphenyl)methylamino]propyl]-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 67930929
N-[2,5-dimethoxy-4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]phenyl]benzamide
CID 41187985
(1R)-N-[(4-ethoxy-3-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 25197103
3-[[1-(2-methoxyphenyl)ethylamino]methyl]benzamide
CID 43664720
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 112800999
(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
CID 59562831
N-(2-methoxy-5-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396925
N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-naphthalen-1-ylethanamine
CID 60590247
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide?
The IUPAC name of N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide (CID 24956981) is N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide?
The canonical SMILES for N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide is COc1ccc(CN[C@H](C)c2cccc3ccccc23)cc1N(C)C(=O)c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide?
The InChIKey is JVXALWDTZHBFEE-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-20(24-15-9-13-22-10-7-8-14-25(22)24)29-19-21-16-17-27(32-3)26(18-21)30(2)28(31)23-11-5-4-6-12-23/h4-18,20,29H,19H2,1-3H3/t20-/m1/s1.
What are the key properties of N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide?
N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide has a molecular weight of 424.54 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide is sourced from PubChem (CID 24956981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).