1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide

C23H35N3O2 — CID 109145889

IUPAC1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCC(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C23H35N3O2/c1-3-26(4-2)21-15-13-20(14-16-21)25-23(28)18-11-9-17(10-12-18)22(27)24-19-7-5-6-8-19/h13-19H,3-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySXQHOGYZAMWQNJ-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.34
Rot. Bonds7

About 1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide

1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide (PubChem CID 109145889) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide
PubChem CID109145889
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCC(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C23H35N3O2/c1-3-26(4-2)21-15-13-20(14-16-21)25-23(28)18-11-9-17(10-12-18)22(27)24-19-7-5-6-8-19/h13-19H,3-12H2,1-2H3,(H,24,27)(H,25,28)
InChIKeySXQHOGYZAMWQNJ-UHFFFAOYSA-N
XLogP4.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 60847830
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
1-N-cyclopropyl-4-N-(4-ethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109144778
(3R)-N-[4-(diethylamino)phenyl]piperidine-3-carboxamide
CID 28807399
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
2-amino-N-[4-(diethylamino)phenyl]cyclohexane-1-carboxamide
CID 64823135
1-N-cyclopropyl-4-N-[4-(diethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109043408
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 4509760
1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea
CID 113049683
N-[4-(cyclooctylamino)phenyl]cyclopropanecarboxamide
CID 29049901

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide (CID 109145889) is 1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide is CCN(CC)c1ccc(NC(=O)C2CCC(C(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of 1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide?
The InChIKey is SXQHOGYZAMWQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-3-26(4-2)21-15-13-20(14-16-21)25-23(28)18-11-9-17(10-12-18)22(27)24-19-7-5-6-8-19/h13-19H,3-12H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide?
1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide has a molecular weight of 385.55 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109145889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).