N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride

C16H26Cl2N4O3 — CID 119868290

IUPACN-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride
SMILESCN(C)CCC(=O)Nc1ccc(NC(=O)C2CNCCO2)cc1.Cl.Cl
InChIInChI=1S/C16H24N4O3.2ClH/c1-20(2)9-7-15(21)18-12-3-5-13(6-4-12)19-16(22)14-11-17-8-10-23-14;;/h3-6,14,17H,7-11H2,1-2H3,(H,18,21)(H,19,22);2*1H
InChIKeyOIGAIMSHLONELJ-UHFFFAOYSA-N
MW393.32 g/mol
LogP1.35
Rot. Bonds6

About N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride

N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119868290) has the molecular formula C16H26Cl2N4O3 and a molecular weight of 393.32 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119868290
Molecular FormulaC16H26Cl2N4O3
Molecular Weight393.32 g/mol
Exact Mass392.14
IUPAC NameN-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride
SMILESCN(C)CCC(=O)Nc1ccc(NC(=O)C2CNCCO2)cc1.Cl.Cl
InChIInChI=1S/C16H24N4O3.2ClH/c1-20(2)9-7-15(21)18-12-3-5-13(6-4-12)19-16(22)14-11-17-8-10-23-14;;/h3-6,14,17H,7-11H2,1-2H3,(H,18,21)(H,19,22);2*1H
InChIKeyOIGAIMSHLONELJ-UHFFFAOYSA-N
XLogP1.35
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 115340051
N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119686937
N-[4-(prop-2-enylcarbamoyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119740967
2-methyl-2-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 80549799
N-[4-(propylcarbamoyl)phenyl]morpholine-2-carboxamide
CID 119739016
N-[4-(2-amino-2-oxoethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119709306
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119794532
N-[4-(2,2,2-trifluoroethoxy)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119698644
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027
N-[4-(phenylmethoxymethyl)phenyl]morpholine-2-carboxamide
CID 119794533

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride (CID 119868290) is N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride is CN(C)CCC(=O)Nc1ccc(NC(=O)C2CNCCO2)cc1.Cl.Cl.
What is the InChIKey of N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is OIGAIMSHLONELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3.2ClH/c1-20(2)9-7-15(21)18-12-3-5-13(6-4-12)19-16(22)14-11-17-8-10-23-14;;/h3-6,14,17H,7-11H2,1-2H3,(H,18,21)(H,19,22);2*1H.
What are the key properties of N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride?
N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 393.32 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propanoylamino]phenyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119868290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).