1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride

C17H27ClN2O2 — CID 119298195

IUPAC1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCC(C)Oc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-3-13(2)21-15-9-7-14(8-10-15)19-16(20)17(18)11-5-4-6-12-17;/h7-10,13H,3-6,11-12,18H2,1-2H3,(H,19,20);1H
InChIKeyDFTMOQWIQBYKKC-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.89
Rot. Bonds5

About 1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119298195) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119298195
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCC(C)Oc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-3-13(2)21-15-9-7-14(8-10-15)19-16(20)17(18)11-5-4-6-12-17;/h7-10,13H,3-6,11-12,18H2,1-2H3,(H,19,20);1H
InChIKeyDFTMOQWIQBYKKC-UHFFFAOYSA-N
XLogP3.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 133245841
N-[4-[(2R)-butan-2-yl]oxyphenyl]-1-ethoxycyclopentane-1-carboxamide
CID 100729496
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
1-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119279259
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
N-(4-butan-2-yloxyphenyl)acetamide
CID 17142081
1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119335598
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
CID 60854428
4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide
CID 115294807
N-(4-butan-2-yloxyphenyl)-1-(4-nitrophenyl)cyclopentane-1-carboxamide
CID 133179608

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119298195) is 1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride is CCC(C)Oc1ccc(NC(=O)C2(N)CCCCC2)cc1.Cl.
What is the InChIKey of 1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is DFTMOQWIQBYKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-3-13(2)21-15-9-7-14(8-10-15)19-16(20)17(18)11-5-4-6-12-17;/h7-10,13H,3-6,11-12,18H2,1-2H3,(H,19,20);1H.
What are the key properties of 1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119298195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).