1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide

C20H25N3O2 — CID 167749206

IUPAC1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide
SMILESNCC(NC(=O)C1CCCC(C(N)=O)C1)c1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O2/c21-12-18(15-9-8-13-4-1-2-5-14(13)10-15)23-20(25)17-7-3-6-16(11-17)19(22)24/h1-2,4-5,8-10,16-18H,3,6-7,11-12,21H2,(H2,22,24)(H,23,25)
InChIKeyZNOXDEHPWRBFID-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.25
Rot. Bonds5

About 1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide

1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide (PubChem CID 167749206) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide
PubChem CID167749206
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide
SMILESNCC(NC(=O)C1CCCC(C(N)=O)C1)c1ccc2ccccc2c1
InChIInChI=1S/C20H25N3O2/c21-12-18(15-9-8-13-4-1-2-5-14(13)10-15)23-20(25)17-7-3-6-16(11-17)19(22)24/h1-2,4-5,8-10,16-18H,3,6-7,11-12,21H2,(H2,22,24)(H,23,25)
InChIKeyZNOXDEHPWRBFID-UHFFFAOYSA-N
XLogP2.25
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568002
N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120567582
N-(2-amino-1-naphthalen-2-ylethyl)oxolane-3-carboxamide
CID 120567741
(2S)-N-(2-amino-1-naphthalen-2-ylethyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 120567464
N-(2-amino-1-naphthalen-2-ylethyl)-3-(cyclopentanecarbonyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120597776
N-(2-amino-1-naphthalen-2-ylethyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120567780
N-(2-amino-1-naphthalen-2-ylethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 167942312
N-(2-amino-1-naphthalen-2-ylethyl)-3,4-dihydro-1H-isochromene-3-carboxamide;hydrochloride
CID 155970724
N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride
CID 120567600
N-(2-amino-1-naphthalen-2-ylethyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 120567823
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120567521

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide (CID 167749206) is 1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide is NCC(NC(=O)C1CCCC(C(N)=O)C1)c1ccc2ccccc2c1.
What is the InChIKey of 1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide?
The InChIKey is ZNOXDEHPWRBFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c21-12-18(15-9-8-13-4-1-2-5-14(13)10-15)23-20(25)17-7-3-6-16(11-17)19(22)24/h1-2,4-5,8-10,16-18H,3,6-7,11-12,21H2,(H2,22,24)(H,23,25).
What are the key properties of 1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide?
1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 167749206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).