N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride

C16H31ClN2O2 — CID 119750312

IUPACN-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCCCCC1CCC(CNC(=O)C2CNCCO2)CC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-2-3-4-13-5-7-14(8-6-13)11-18-16(19)15-12-17-9-10-20-15;/h13-15,17H,2-12H2,1H3,(H,18,19);1H
InChIKeyYBJDJAJHRCLKEY-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.51
Rot. Bonds6

About N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride

N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119750312) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119750312
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC NameN-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCCCCC1CCC(CNC(=O)C2CNCCO2)CC1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-2-3-4-13-5-7-14(8-6-13)11-18-16(19)15-12-17-9-10-20-15;/h13-15,17H,2-12H2,1H3,(H,18,19);1H
InChIKeyYBJDJAJHRCLKEY-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 130702713
N-[(3-hydroxycyclopentyl)methyl]morpholine-2-carboxamide
CID 106134080
N-(3-cyclohexylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119724280
N-(3-cyclopentylpropyl)morpholine-2-carboxamide
CID 113266264
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CID 115567943
N-(4-ethylcyclohexyl)morpholine-2-carboxamide;hydrochloride
CID 119716179
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119854716
N-[2-(cyclopropylmethoxy)ethyl]morpholine-2-carboxamide
CID 103809948
N-[2-(cyclopropanecarbonylamino)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119687765
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CID 70601940

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride (CID 119750312) is N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride is CCCCC1CCC(CNC(=O)C2CNCCO2)CC1.Cl.
What is the InChIKey of N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is YBJDJAJHRCLKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-2-3-4-13-5-7-14(8-6-13)11-18-16(19)15-12-17-9-10-20-15;/h13-15,17H,2-12H2,1H3,(H,18,19);1H.
What are the key properties of N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride?
N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylcyclohexyl)methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119750312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).