4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide

C21H37N3O3 — CID 109147192

IUPAC4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCN1CCOCC1)C1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C21H37N3O3/c25-20(22-11-12-24-13-15-27-16-14-24)17-7-9-18(10-8-17)21(26)23-19-5-3-1-2-4-6-19/h17-19H,1-16H2,(H,22,25)(H,23,26)
InChIKeyLJMDPTINGRVLHT-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.08
Rot. Bonds6

About 4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide

4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109147192) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is 4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109147192
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC Name4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
SMILESO=C(NCCN1CCOCC1)C1CCC(C(=O)NC2CCCCCC2)CC1
InChIInChI=1S/C21H37N3O3/c25-20(22-11-12-24-13-15-27-16-14-24)17-7-9-18(10-8-17)21(26)23-19-5-3-1-2-4-6-19/h17-19H,1-16H2,(H,22,25)(H,23,26)
InChIKeyLJMDPTINGRVLHT-UHFFFAOYSA-N
XLogP2.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944023
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 47178269
1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973625
N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111030584
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
4-(2-ethylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 109147196
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 112991537
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087
4-N-(2-morpholin-4-ylethyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428885
(3R)-1-cyclohexyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 7328647

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide (CID 109147192) is 4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide is O=C(NCCN1CCOCC1)C1CCC(C(=O)NC2CCCCCC2)CC1.
What is the InChIKey of 4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is LJMDPTINGRVLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c25-20(22-11-12-24-13-15-27-16-14-24)17-7-9-18(10-8-17)21(26)23-19-5-3-1-2-4-6-19/h17-19H,1-16H2,(H,22,25)(H,23,26).
What are the key properties of 4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide?
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 379.55 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109147192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).