3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride

C17H26ClN3O2 — CID 119807872

IUPAC3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESC[C@H](c1ccccc1)N(CC(N)=O)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(13-6-3-2-4-7-13)20(11-16(19)21)17(22)14-8-5-9-15(18)10-14;/h2-4,6-7,12,14-15H,5,8-11,18H2,1H3,(H2,19,21);1H/t12-,14?,15?;/m1./s1
InChIKeyKETBKOYYKQWQEU-DCEPCQMQSA-N
MW339.87 g/mol
LogP2.00
Rot. Bonds5

About 3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119807872) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119807872
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESC[C@H](c1ccccc1)N(CC(N)=O)C(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(13-6-3-2-4-7-13)20(11-16(19)21)17(22)14-8-5-9-15(18)10-14;/h2-4,6-7,12,14-15H,5,8-11,18H2,1H3,(H2,19,21);1H/t12-,14?,15?;/m1./s1
InChIKeyKETBKOYYKQWQEU-DCEPCQMQSA-N
XLogP2.00
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclopentane-1-carboxamide
CID 119807871
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CID 119799535
3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119794789
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]propanamide;hydrochloride
CID 119337389
3-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119717417
3-amino-N-benzyl-N-propan-2-ylcyclopentane-1-carboxamide;hydrochloride
CID 119676287
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139
3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119802425
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62777350
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 63044895

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119807872) is 3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride is C[C@H](c1ccccc1)N(CC(N)=O)C(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is KETBKOYYKQWQEU-DCEPCQMQSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-12(13-6-3-2-4-7-13)20(11-16(19)21)17(22)14-8-5-9-15(18)10-14;/h2-4,6-7,12,14-15H,5,8-11,18H2,1H3,(H2,19,21);1H/t12-,14?,15?;/m1./s1.
What are the key properties of 3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-amino-2-oxoethyl)-N-[(1R)-1-phenylethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119807872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).