1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride

C23H32ClN3O2 — CID 119439486

IUPAC1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2CNCC)c1.Cl
InChIInChI=1S/C23H31N3O2.ClH/c1-4-14-26(15-5-2)23(28)19-12-9-11-18(16-19)22(27)25-21-13-8-7-10-20(21)17-24-6-3;/h7-13,16,24H,4-6,14-15,17H2,1-3H3,(H,25,27);1H
InChIKeyHGITZCPVWKICKP-UHFFFAOYSA-N
MW417.98 g/mol
LogP4.73
Rot. Bonds10

About 1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride

1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride (PubChem CID 119439486) has the molecular formula C23H32ClN3O2 and a molecular weight of 417.98 g/mol. Its IUPAC name is 1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
PubChem CID119439486
Molecular FormulaC23H32ClN3O2
Molecular Weight417.98 g/mol
Exact Mass417.22
IUPAC Name1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2CNCC)c1.Cl
InChIInChI=1S/C23H31N3O2.ClH/c1-4-14-26(15-5-2)23(28)19-12-9-11-18(16-19)22(27)25-21-13-8-7-10-20(21)17-24-6-3;/h7-13,16,24H,4-6,14-15,17H2,1-3H3,(H,25,27);1H
InChIKeyHGITZCPVWKICKP-UHFFFAOYSA-N
XLogP4.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.98
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2-aminophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119422209
1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056611
3-(dimethylcarbamoylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 119440210
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604
N-[2-(ethylaminomethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 103793628
3,5-dichloro-N-[2-(ethylaminomethyl)phenyl]benzamide
CID 43601335
N-[2-(ethylaminomethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103805548
3-benzamido-4-methyl-N,N-dipropylbenzamide
CID 17226384
1-N-(4-chlorophenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056617

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride (CID 119439486) is 1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride is CCCN(CCC)C(=O)c1cccc(C(=O)Nc2ccccc2CNCC)c1.Cl.
What is the InChIKey of 1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride?
The InChIKey is HGITZCPVWKICKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2.ClH/c1-4-14-26(15-5-2)23(28)19-12-9-11-18(16-19)22(27)25-21-13-8-7-10-20(21)17-24-6-3;/h7-13,16,24H,4-6,14-15,17H2,1-3H3,(H,25,27);1H.
What are the key properties of 1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride?
1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride has a molecular weight of 417.98 g/mol, XLogP of 4.73, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(ethylaminomethyl)phenyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119439486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).