N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide

C31H39N3O2 — CID 68796617

IUPACN-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide
SMILESCC(NC1CCCC(c2ccc(C(=O)NCCN3CCOCC3)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C31H39N3O2/c1-23(29-11-5-7-25-6-2-3-10-30(25)29)33-28-9-4-8-27(22-28)24-12-14-26(15-13-24)31(35)32-16-17-34-18-20-36-21-19-34/h2-3,5-7,10-15,23,27-28,33H,4,8-9,16-22H2,1H3,(H,32,35)
InChIKeyHTKLSTXLLAAKLE-UHFFFAOYSA-N
MW485.67 g/mol
LogP5.28
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide

N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide (PubChem CID 68796617) has the molecular formula C31H39N3O2 and a molecular weight of 485.67 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide
PubChem CID68796617
Molecular FormulaC31H39N3O2
Molecular Weight485.67 g/mol
Exact Mass485.30
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide
SMILESCC(NC1CCCC(c2ccc(C(=O)NCCN3CCOCC3)cc2)C1)c1cccc2ccccc12
InChIInChI=1S/C31H39N3O2/c1-23(29-11-5-7-25-6-2-3-10-30(25)29)33-28-9-4-8-27(22-28)24-12-14-26(15-13-24)31(35)32-16-17-34-18-20-36-21-19-34/h2-3,5-7,10-15,23,27-28,33H,4,8-9,16-22H2,1H3,(H,32,35)
InChIKeyHTKLSTXLLAAKLE-UHFFFAOYSA-N
XLogP5.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.67
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-N-(2-sulfanylethyl)benzamide
CID 42623590
N-hydroxy-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 42624000
N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 141396256
N-[(2-methylpropan-2-yl)oxy]-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 59617218
methyl 3-[[4-[3-(1-naphthalen-1-ylethylamino)cyclopentyl]benzoyl]amino]propanoate
CID 68779930
4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]-N-(oxolan-3-ylmethoxy)benzamide
CID 74823297
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
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

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide (CID 68796617) is N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide is CC(NC1CCCC(c2ccc(C(=O)NCCN3CCOCC3)cc2)C1)c1cccc2ccccc12.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide?
The InChIKey is HTKLSTXLLAAKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O2/c1-23(29-11-5-7-25-6-2-3-10-30(25)29)33-28-9-4-8-27(22-28)24-12-14-26(15-13-24)31(35)32-16-17-34-18-20-36-21-19-34/h2-3,5-7,10-15,23,27-28,33H,4,8-9,16-22H2,1H3,(H,32,35).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide?
N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide has a molecular weight of 485.67 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[3-(1-naphthalen-1-ylethylamino)cyclohexyl]benzamide is sourced from PubChem (CID 68796617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).