3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide

C22H24N2O2 — CID 97230706

IUPAC3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CN[C@H](C)c2ccc(OC)c3ccccc23)c1
InChIInChI=1S/C22H24N2O2/c1-15(24-14-16-7-6-8-17(13-16)22(25)23-2)18-11-12-21(26-3)20-10-5-4-9-19(18)20/h4-13,15,24H,14H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKeyMCDUPVXZZYQSPG-OAHLLOKOSA-N
MW348.45 g/mol
LogP4.06
Rot. Bonds6

About 3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide

3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide (PubChem CID 97230706) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide
PubChem CID97230706
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CN[C@H](C)c2ccc(OC)c3ccccc23)c1
InChIInChI=1S/C22H24N2O2/c1-15(24-14-16-7-6-8-17(13-16)22(25)23-2)18-11-12-21(26-3)20-10-5-4-9-19(18)20/h4-13,15,24H,14H2,1-3H3,(H,23,25)/t15-/m1/s1
InChIKeyMCDUPVXZZYQSPG-OAHLLOKOSA-N
XLogP4.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-methoxy-5-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]-N-methylbenzamide
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3-[[(4-methoxy-3-propan-2-ylbenzoyl)amino]methyl]benzoic acid
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CID 31953617
N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
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methyl 3-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]benzoate
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3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide
CID 119719976
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
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3-[[[(1S)-1-phenylethyl]amino]methyl]benzamide
CID 28564891

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide (CID 97230706) is 3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CN[C@H](C)c2ccc(OC)c3ccccc23)c1.
What is the InChIKey of 3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide?
The InChIKey is MCDUPVXZZYQSPG-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15(24-14-16-7-6-8-17(13-16)22(25)23-2)18-11-12-21(26-3)20-10-5-4-9-19(18)20/h4-13,15,24H,14H2,1-3H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide?
3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide has a molecular weight of 348.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 97230706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).