1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide

C27H44N6O3 — CID 176742048

IUPAC1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide
SMILESCOC1C(C(=O)NC2CCC(C3=NCCN3)CC2)CCCC1C(=O)NC1CCC(C2=NCCN2)CC1
InChIInChI=1S/C27H44N6O3/c1-36-23-21(26(34)32-19-9-5-17(6-10-19)24-28-13-14-29-24)3-2-4-22(23)27(35)33-20-11-7-18(8-12-20)25-30-15-16-31-25/h17-23H,2-16H2,1H3,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
InChIKeyKTOAWIPHTIHYKZ-UHFFFAOYSA-N
MW500.69 g/mol
LogP1.77
Rot. Bonds7

About 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide

1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide (PubChem CID 176742048) has the molecular formula C27H44N6O3 and a molecular weight of 500.69 g/mol. Its IUPAC name is 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide
PubChem CID176742048
Molecular FormulaC27H44N6O3
Molecular Weight500.69 g/mol
Exact Mass500.35
IUPAC Name1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide
SMILESCOC1C(C(=O)NC2CCC(C3=NCCN3)CC2)CCCC1C(=O)NC1CCC(C2=NCCN2)CC1
InChIInChI=1S/C27H44N6O3/c1-36-23-21(26(34)32-19-9-5-17(6-10-19)24-28-13-14-29-24)3-2-4-22(23)27(35)33-20-11-7-18(8-12-20)25-30-15-16-31-25/h17-23H,2-16H2,1H3,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
InChIKeyKTOAWIPHTIHYKZ-UHFFFAOYSA-N
XLogP1.77
TPSA116.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.69
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-3-[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]carbamoylamino]cyclohexyl]urea
CID 176741998
cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091666
2-methyl-N-[(3R)-piperidin-3-yl]cyclopentane-1-carboxamide
CID 107181065
N-cyclopropyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-2-carboxamide
CID 91902386
N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide
CID 119344647
3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 106197966
2-methyl-N-(oxetan-3-yl)cyclopentane-1-carboxamide
CID 107180280
trans-methyl (1R,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclobutane-1-carboxylate
CID 58817702
cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114093102
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
2-amino-N-cyclohexylcyclopentane-1-carboxamide
CID 64817156
1-N-cyclopentyl-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109131989

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide (CID 176742048) is 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide is COC1C(C(=O)NC2CCC(C3=NCCN3)CC2)CCCC1C(=O)NC1CCC(C2=NCCN2)CC1.
What is the InChIKey of 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide?
The InChIKey is KTOAWIPHTIHYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H44N6O3/c1-36-23-21(26(34)32-19-9-5-17(6-10-19)24-28-13-14-29-24)3-2-4-22(23)27(35)33-20-11-7-18(8-12-20)25-30-15-16-31-25/h17-23H,2-16H2,1H3,(H,28,29)(H,30,31)(H,32,34)(H,33,35).
What are the key properties of 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide?
1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide has a molecular weight of 500.69 g/mol, XLogP of 1.77, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)cyclohexyl]-2-methoxycyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 176742048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).