N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride

C18H29ClN2O4 — CID 119754344

IUPACN-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCCCCOCCOCc1cccc(NC(=O)C2CNCCO2)c1.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-2-3-8-22-10-11-23-14-15-5-4-6-16(12-15)20-18(21)17-13-19-7-9-24-17;/h4-6,12,17,19H,2-3,7-11,13-14H2,1H3,(H,20,21);1H
InChIKeyPOIAGDYWZISSIG-UHFFFAOYSA-N
MW372.89 g/mol
LogP2.37
Rot. Bonds10

About N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride

N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119754344) has the molecular formula C18H29ClN2O4 and a molecular weight of 372.89 g/mol. Its IUPAC name is N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119754344
Molecular FormulaC18H29ClN2O4
Molecular Weight372.89 g/mol
Exact Mass372.18
IUPAC NameN-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
SMILESCCCCOCCOCc1cccc(NC(=O)C2CNCCO2)c1.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-2-3-8-22-10-11-23-14-15-5-4-6-16(12-15)20-18(21)17-13-19-7-9-24-17;/h4-6,12,17,19H,2-3,7-11,13-14H2,1H3,(H,20,21);1H
InChIKeyPOIAGDYWZISSIG-UHFFFAOYSA-N
XLogP2.37
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119794532
N-[3-[(3-methylphenyl)methoxy]phenyl]morpholine-2-carboxamide
CID 119783770
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]morpholine-2-carboxamide
CID 119729240
3-amino-N-[3-(2-butoxyethoxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119754336
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide
CID 119794533
N-[3-(tert-butylsulfinylmethyl)phenyl]morpholine-2-carboxamide
CID 119790021
N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119686937
N-[3-(ethylcarbamoylamino)phenyl]morpholine-2-carboxamide
CID 119755895
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride (CID 119754344) is N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride is CCCCOCCOCc1cccc(NC(=O)C2CNCCO2)c1.Cl.
What is the InChIKey of N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is POIAGDYWZISSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4.ClH/c1-2-3-8-22-10-11-23-14-15-5-4-6-16(12-15)20-18(21)17-13-19-7-9-24-17;/h4-6,12,17,19H,2-3,7-11,13-14H2,1H3,(H,20,21);1H.
What are the key properties of N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride?
N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 372.89 g/mol, XLogP of 2.37, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-butoxyethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119754344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).