N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride

C15H23ClN2O3 — CID 119745760

IUPACN-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCCCCOc1cccc(NC(=O)C2CNCCO2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-2-3-8-19-13-6-4-5-12(10-13)17-15(18)14-11-16-7-9-20-14;/h4-6,10,14,16H,2-3,7-9,11H2,1H3,(H,17,18);1H
InChIKeyXTDRUADZLQQKAI-UHFFFAOYSA-N
MW314.81 g/mol
LogP2.21
Rot. Bonds6

About N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride

N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride (PubChem CID 119745760) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
PubChem CID119745760
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC NameN-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
SMILESCCCCOc1cccc(NC(=O)C2CNCCO2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-2-3-8-19-13-6-4-5-12(10-13)17-15(18)14-11-16-7-9-20-14;/h4-6,10,14,16H,2-3,7-9,11H2,1H3,(H,17,18);1H
InChIKeyXTDRUADZLQQKAI-UHFFFAOYSA-N
XLogP2.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119754344
N-(3-butoxyphenyl)pyrrolidine-3-carboxamide
CID 119745768
N-[3-[(3-methylphenyl)methoxy]phenyl]morpholine-2-carboxamide
CID 119783770
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-[3-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119846119
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-2-carboxamide
CID 119713878
N-[3-(ethylcarbamoylamino)phenyl]morpholine-2-carboxamide
CID 119755895
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027
N-[4-(2-methoxyethoxy)-2-methylphenyl]morpholine-2-carboxamide;hydrochloride
CID 119723519
N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119686937
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide
CID 119729240
N-(4-ethoxy-3-fluorophenyl)morpholine-2-carboxamide;hydrochloride
CID 119742216

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride (CID 119745760) is N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride is CCCCOc1cccc(NC(=O)C2CNCCO2)c1.Cl.
What is the InChIKey of N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride?
The InChIKey is XTDRUADZLQQKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-2-3-8-19-13-6-4-5-12(10-13)17-15(18)14-11-16-7-9-20-14;/h4-6,10,14,16H,2-3,7-9,11H2,1H3,(H,17,18);1H.
What are the key properties of N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride?
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119745760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).