1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride

C22H35ClN4O4 — CID 54609927

IUPAC1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCOCC1)c1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C22H34N4O4.ClH/c27-21(23-7-1-9-25-11-15-29-16-12-25)19-3-5-20(6-4-19)22(28)24-8-2-10-26-13-17-30-18-14-26;/h3-6H,1-2,7-18H2,(H,23,27)(H,24,28);1H
InChIKeyGSBBKECZDKQIBK-UHFFFAOYSA-N
MW455.00 g/mol
LogP1.01
Rot. Bonds10

About 1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride

1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride (PubChem CID 54609927) has the molecular formula C22H35ClN4O4 and a molecular weight of 455.00 g/mol. Its IUPAC name is 1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
PubChem CID54609927
Molecular FormulaC22H35ClN4O4
Molecular Weight455.00 g/mol
Exact Mass454.23
IUPAC Name1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
SMILESCl.O=C(NCCCN1CCOCC1)c1ccc(C(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C22H34N4O4.ClH/c27-21(23-7-1-9-25-11-15-29-16-12-25)19-3-5-20(6-4-19)22(28)24-8-2-10-26-13-17-30-18-14-26;/h3-6H,1-2,7-18H2,(H,23,27)(H,24,28);1H
InChIKeyGSBBKECZDKQIBK-UHFFFAOYSA-N
XLogP1.01
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
4-(methylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 62167538
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide;hydrochloride
CID 2909951
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride?
The IUPAC name of 1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride (CID 54609927) is 1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride?
The canonical SMILES for 1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride is Cl.O=C(NCCCN1CCOCC1)c1ccc(C(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride?
The InChIKey is GSBBKECZDKQIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4.ClH/c27-21(23-7-1-9-25-11-15-29-16-12-25)19-3-5-20(6-4-19)22(28)24-8-2-10-26-13-17-30-18-14-26;/h3-6H,1-2,7-18H2,(H,23,27)(H,24,28);1H.
What are the key properties of 1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride?
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride has a molecular weight of 455.00 g/mol, XLogP of 1.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride is sourced from PubChem (CID 54609927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).