N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide

C18H27N3O2 — CID 155953651

IUPACN'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide
SMILESCC1(C)CC(O/N=C(\N)c2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C18H27N3O2/c1-18(2)11-16(12-18)23-20-17(19)15-5-3-14(4-6-15)13-21-7-9-22-10-8-21/h3-6,16H,7-13H2,1-2H3,(H2,19,20)
InChIKeyMFBCMVJNRSUQKI-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.34
Rot. Bonds5

About N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide

N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide (PubChem CID 155953651) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide
PubChem CID155953651
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide
SMILESCC1(C)CC(O/N=C(\N)c2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C18H27N3O2/c1-18(2)11-16(12-18)23-20-17(19)15-5-3-14(4-6-15)13-21-7-9-22-10-8-21/h3-6,16H,7-13H2,1-2H3,(H2,19,20)
InChIKeyMFBCMVJNRSUQKI-UHFFFAOYSA-N
XLogP2.34
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(3-methyl-1,2-oxazol-5-yl)methoxy]-4-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 71882995
ethyl 4-[4-(morpholin-4-ylmethyl)benzoyl]benzoate
CID 24724227
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
2-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 68861466
N-[amino-[4-(morpholin-4-ylmethyl)phenyl]methylidene]-1-ethyl-6,6-dimethyl-5,7-dihydro-4H-indazole-3-carboxamide
CID 58559283
N'-hydroxy-4-[(4-methoxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 43372970
(Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide
CID 155586454
ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate
CID 24724267
N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 81115655
ethyl 4-[(Z)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]benzoate
CID 89048082
CID 59303659
CID 59303659
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide (CID 155953651) is N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide is CC1(C)CC(O/N=C(\N)c2ccc(CN3CCOCC3)cc2)C1.
What is the InChIKey of N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide?
The InChIKey is MFBCMVJNRSUQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(2)11-16(12-18)23-20-17(19)15-5-3-14(4-6-15)13-21-7-9-22-10-8-21/h3-6,16H,7-13H2,1-2H3,(H2,19,20).
What are the key properties of N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide?
N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide has a molecular weight of 317.43 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 155953651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).