3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride

C18H29ClN2O2 — CID 119745976

IUPAC3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1cccc(C)c1OCC(C)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-12-6-4-7-13(2)17(12)22-11-14(3)20-18(21)15-8-5-9-16(19)10-15;/h4,6-7,14-16H,5,8-11,19H2,1-3H3,(H,20,21);1H
InChIKeyVCDZNQPSSGUUMV-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.13
Rot. Bonds5

About 3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119745976) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119745976
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1cccc(C)c1OCC(C)NC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-12-6-4-7-13(2)17(12)22-11-14(3)20-18(21)15-8-5-9-16(19)10-15;/h4,6-7,14-16H,5,8-11,19H2,1-3H3,(H,20,21);1H
InChIKeyVCDZNQPSSGUUMV-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclohexane-1-carboxamide
CID 119742802
2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975441
4-(cyclobutanecarbonyl)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperazine-1-carboxamide
CID 119071313
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119779219
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
3-amino-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119885546
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 63044500
3-amino-N-(4-methoxybutan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119765560
3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119722765
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]cyclohexane-1-carboxamide
CID 63044483

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride (CID 119745976) is 3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride is Cc1cccc(C)c1OCC(C)NC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is VCDZNQPSSGUUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-12-6-4-7-13(2)17(12)22-11-14(3)20-18(21)15-8-5-9-16(19)10-15;/h4,6-7,14-16H,5,8-11,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119745976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).