3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride

C18H28ClN3O2 — CID 119750884

IUPAC3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-2-21(13-14-7-4-3-5-8-14)17(22)12-20-18(23)15-9-6-10-16(19)11-15;/h3-5,7-8,15-16H,2,6,9-13,19H2,1H3,(H,20,23);1H
InChIKeyDBILMBBKTIDUDX-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.09
Rot. Bonds6

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

3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119750884) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119750884
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-2-21(13-14-7-4-3-5-8-14)17(22)12-20-18(23)15-9-6-10-16(19)11-15;/h3-5,7-8,15-16H,2,6,9-13,19H2,1H3,(H,20,23);1H
InChIKeyDBILMBBKTIDUDX-UHFFFAOYSA-N
XLogP2.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119304521
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119862239
(1R)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohex-3-ene-1-carboxamide
CID 94671381
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[3-[benzyl(methyl)amino]butyl]cyclohexane-1-carboxamide
CID 119899227
(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 94671367
3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836069
3-amino-N-(2-anilino-2-oxoethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119738339
3-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119836070
1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119750868
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119750884) is 3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride is CCN(Cc1ccccc1)C(=O)CNC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DBILMBBKTIDUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-2-21(13-14-7-4-3-5-8-14)17(22)12-20-18(23)15-9-6-10-16(19)11-15;/h3-5,7-8,15-16H,2,6,9-13,19H2,1H3,(H,20,23);1H.
What are the key properties of 3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119750884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).