N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride

C26H35Cl2N3O3 — CID 18349270

IUPACN-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride
SMILESCCCNC(=O)c1ccc(-c2ccoc2-c2ccc(C(=O)NCCC)cc2)cc1.CNC.Cl.Cl
InChIInChI=1S/C24H26N2O3.C2H7N.2ClH/c1-3-14-25-23(27)19-9-5-17(6-10-19)21-13-16-29-22(21)18-7-11-20(12-8-18)24(28)26-15-4-2;1-3-2;;/h5-13,16H,3-4,14-15H2,1-2H3,(H,25,27)(H,26,28);3H,1-2H3;2*1H
InChIKeyQVSSYMPMZODGJM-UHFFFAOYSA-N
MW508.49 g/mol
LogP5.57
Rot. Bonds8

About N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride

N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride (PubChem CID 18349270) has the molecular formula C26H35Cl2N3O3 and a molecular weight of 508.49 g/mol. Its IUPAC name is N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride
PubChem CID18349270
Molecular FormulaC26H35Cl2N3O3
Molecular Weight508.49 g/mol
Exact Mass507.21
IUPAC NameN-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride
SMILESCCCNC(=O)c1ccc(-c2ccoc2-c2ccc(C(=O)NCCC)cc2)cc1.CNC.Cl.Cl
InChIInChI=1S/C24H26N2O3.C2H7N.2ClH/c1-3-14-25-23(27)19-9-5-17(6-10-19)21-13-16-29-22(21)18-7-11-20(12-8-18)24(28)26-15-4-2;1-3-2;;/h5-13,16H,3-4,14-15H2,1-2H3,(H,25,27)(H,26,28);3H,1-2H3;2*1H
InChIKeyQVSSYMPMZODGJM-UHFFFAOYSA-N
XLogP5.57
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.49
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-2-pyridinyl)-N-propylbenzamide
CID 59673771
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
ethane;4-ethyl-N-propylbenzamide
CID 142831348
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
4-[methyl(propan-2-yl)amino]-N-propylbenzamide
CID 91434039
N-ethyl-2-phenylfuran-3-carboxamide;N-methylmethanamine;dihydrochloride
CID 70215645
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
4-bromo-N-[2-(propylamino)ethyl]benzamide
CID 62658628
N-butyl-4-phenylbenzamide
CID 3637649
4-fluoro-3-hydroxy-N-propylbenzamide
CID 130057564
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride?
The IUPAC name of N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride (CID 18349270) is N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride.
What is the SMILES notation for N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride?
The canonical SMILES for N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride is CCCNC(=O)c1ccc(-c2ccoc2-c2ccc(C(=O)NCCC)cc2)cc1.CNC.Cl.Cl.
What is the InChIKey of N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride?
The InChIKey is QVSSYMPMZODGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3.C2H7N.2ClH/c1-3-14-25-23(27)19-9-5-17(6-10-19)21-13-16-29-22(21)18-7-11-20(12-8-18)24(28)26-15-4-2;1-3-2;;/h5-13,16H,3-4,14-15H2,1-2H3,(H,25,27)(H,26,28);3H,1-2H3;2*1H.
What are the key properties of N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride?
N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride has a molecular weight of 508.49 g/mol, XLogP of 5.57, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;N-propyl-4-[2-[4-(propylcarbamoyl)phenyl]furan-3-yl]benzamide;dihydrochloride is sourced from PubChem (CID 18349270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).