N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C18H30N4O2 — CID 56701904

IUPACN-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCCC2CN(Cc3cnc[nH]3)CCO2)C1(C)C
InChIInChI=1S/C18H30N4O2/c1-17(2)15(18(17,3)4)16(23)20-6-5-14-11-22(7-8-24-14)10-13-9-19-12-21-13/h9,12,14-15H,5-8,10-11H2,1-4H3,(H,19,21)(H,20,23)
InChIKeyYERJXSCGBFUMCW-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.80
Rot. Bonds6

About N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 56701904) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID56701904
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCCC2CN(Cc3cnc[nH]3)CCO2)C1(C)C
InChIInChI=1S/C18H30N4O2/c1-17(2)15(18(17,3)4)16(23)20-6-5-14-11-22(7-8-24-14)10-13-9-19-12-21-13/h9,12,14-15H,5-8,10-11H2,1-4H3,(H,19,21)(H,20,23)
InChIKeyYERJXSCGBFUMCW-UHFFFAOYSA-N
XLogP1.80
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 56701904) is N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)NCCC2CN(Cc3cnc[nH]3)CCO2)C1(C)C.
What is the InChIKey of N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is YERJXSCGBFUMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-17(2)15(18(17,3)4)16(23)20-6-5-14-11-22(7-8-24-14)10-13-9-19-12-21-13/h9,12,14-15H,5-8,10-11H2,1-4H3,(H,19,21)(H,20,23).
What are the key properties of N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]ethyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 56701904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).