N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride

C15H31Cl2N3O3 — CID 119858903

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride
SMILESCC1CN(CCCCNC(=O)C2CNCCO2)CC(C)O1.Cl.Cl
InChIInChI=1S/C15H29N3O3.2ClH/c1-12-10-18(11-13(2)21-12)7-4-3-5-17-15(19)14-9-16-6-8-20-14;;/h12-14,16H,3-11H2,1-2H3,(H,17,19);2*1H
InChIKeyPBASWKWLCBOYOA-UHFFFAOYSA-N
MW372.34 g/mol
LogP0.82
Rot. Bonds6

About N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride

N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119858903) has the molecular formula C15H31Cl2N3O3 and a molecular weight of 372.34 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119858903
Molecular FormulaC15H31Cl2N3O3
Molecular Weight372.34 g/mol
Exact Mass371.17
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride
SMILESCC1CN(CCCCNC(=O)C2CNCCO2)CC(C)O1.Cl.Cl
InChIInChI=1S/C15H29N3O3.2ClH/c1-12-10-18(11-13(2)21-12)7-4-3-5-17-15(19)14-9-16-6-8-20-14;;/h12-14,16H,3-11H2,1-2H3,(H,17,19);2*1H
InChIKeyPBASWKWLCBOYOA-UHFFFAOYSA-N
XLogP0.82
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide
CID 119858904
N-(5-piperidin-1-ylpentyl)morpholine-2-carboxamide;dihydrochloride
CID 119885469
N-octylmorpholine-2-carboxamide
CID 115567943
N-(3-methylsulfanylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119706942
N-[2-(3-methylpiperidin-1-yl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119851040
(2S,5R)-5-(aminomethyl)-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]oxolane-2-carboxamide;dihydrochloride
CID 120798713
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine-2-carboxamide;dihydrochloride
CID 119851357
N-[2-(cyclopropanecarbonylamino)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119687765
N-(3-cyclohexylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119724280
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]morpholine-3-carboxamide
CID 119840985
N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
CID 119783948
4-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]butanamide;dihydrochloride
CID 119858913

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride (CID 119858903) is N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride is CC1CN(CCCCNC(=O)C2CNCCO2)CC(C)O1.Cl.Cl.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is PBASWKWLCBOYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3.2ClH/c1-12-10-18(11-13(2)21-12)7-4-3-5-17-15(19)14-9-16-6-8-20-14;;/h12-14,16H,3-11H2,1-2H3,(H,17,19);2*1H.
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride?
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 372.34 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)butyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119858903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).