N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide

C19H32N4O2 — CID 118794152

IUPACN-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCC(C)C(NC(=O)C1(N2CCOCC2)CCCCC1)c1nccn1C
InChIInChI=1S/C19H32N4O2/c1-15(2)16(17-20-9-10-22(17)3)21-18(24)19(7-5-4-6-8-19)23-11-13-25-14-12-23/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,21,24)
InChIKeyHKDYPTBYJCTTBO-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.27
Rot. Bonds5

About N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide

N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 118794152) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID118794152
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCC(C)C(NC(=O)C1(N2CCOCC2)CCCCC1)c1nccn1C
InChIInChI=1S/C19H32N4O2/c1-15(2)16(17-20-9-10-22(17)3)21-18(24)19(7-5-4-6-8-19)23-11-13-25-14-12-23/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,21,24)
InChIKeyHKDYPTBYJCTTBO-UHFFFAOYSA-N
XLogP2.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 99940755
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CID 125445339
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 125446155
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CID 122571679
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]prop-2-enamide
CID 166406040
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 125435398
3-hydroxy-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]azetidine-1-carboxamide
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CID 122560977
1-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-3-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]urea
CID 97320279
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
CID 125441329
N-[furan-2-yl(phenyl)methyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 131894982
N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (CID 118794152) is N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is CC(C)C(NC(=O)C1(N2CCOCC2)CCCCC1)c1nccn1C.
What is the InChIKey of N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is HKDYPTBYJCTTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15(2)16(17-20-9-10-22(17)3)21-18(24)19(7-5-4-6-8-19)23-11-13-25-14-12-23/h9-10,15-16H,4-8,11-14H2,1-3H3,(H,21,24).
What are the key properties of N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 118794152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).