N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide

C26H30N2O — CID 141396256

IUPACN-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
SMILESCNC(=O)c1ccc([C@H]2CCC[C@H](N[C@H](C)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C26H30N2O/c1-18(24-12-6-8-20-7-3-4-11-25(20)24)28-23-10-5-9-22(17-23)19-13-15-21(16-14-19)26(29)27-2/h3-4,6-8,11-16,18,22-23,28H,5,9-10,17H2,1-2H3,(H,27,29)/t18-,22+,23+/m1/s1
InChIKeyJJCCSXGJXUBBND-LEOXJPRUSA-N
MW386.54 g/mol
LogP5.58
Rot. Bonds5

About N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide

N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide (PubChem CID 141396256) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
PubChem CID141396256
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC NameN-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
SMILESCNC(=O)c1ccc([C@H]2CCC[C@H](N[C@H](C)c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C26H30N2O/c1-18(24-12-6-8-20-7-3-4-11-25(20)24)28-23-10-5-9-22(17-23)19-13-15-21(16-14-19)26(29)27-2/h3-4,6-8,11-16,18,22-23,28H,5,9-10,17H2,1-2H3,(H,27,29)/t18-,22+,23+/m1/s1
InChIKeyJJCCSXGJXUBBND-LEOXJPRUSA-N
XLogP5.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 42624000
4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-N-(2-sulfanylethyl)benzamide
CID 42623590
N-[(2-methylpropan-2-yl)oxy]-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 59617218
2-[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]acetic acid
CID 59617292
N-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cycloheptyl]phenyl]acetamide
CID 59617302
[4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]phenyl]methanol
CID 42624182
3-(4-iodophenyl)-N-(1-naphthalen-1-ylethyl)cyclohexan-1-amine
CID 68779176
4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoic acid
CID 68781148
4-[(1S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]benzoic acid
CID 59617339
ethyl 1-[[4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzoyl]amino]cyclopropane-1-carboxylate
CID 59617388
5-[[4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzoyl]amino]pyridine-3-carboxylic acid
CID 71016043
N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide
CID 68796617

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide?
The IUPAC name of N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide (CID 141396256) is N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide.
What is the SMILES notation for N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide?
The canonical SMILES for N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide is CNC(=O)c1ccc([C@H]2CCC[C@H](N[C@H](C)c3cccc4ccccc34)C2)cc1.
What is the InChIKey of N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide?
The InChIKey is JJCCSXGJXUBBND-LEOXJPRUSA-N. The full InChI is InChI=1S/C26H30N2O/c1-18(24-12-6-8-20-7-3-4-11-25(20)24)28-23-10-5-9-22(17-23)19-13-15-21(16-14-19)26(29)27-2/h3-4,6-8,11-16,18,22-23,28H,5,9-10,17H2,1-2H3,(H,27,29)/t18-,22+,23+/m1/s1.
What are the key properties of N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide?
N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide has a molecular weight of 386.54 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 141396256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).