2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide

C18H32N6O2 — CID 111378618

IUPAC2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide
SMILESC/N=C(\NCCNC(=O)C(C)(C)C)N1CCN(Cc2cc(C)on2)CC1
InChIInChI=1S/C18H32N6O2/c1-14-12-15(22-26-14)13-23-8-10-24(11-9-23)17(19-5)21-7-6-20-16(25)18(2,3)4/h12H,6-11,13H2,1-5H3,(H,19,21)(H,20,25)
InChIKeyRTHMXZGGABRUPH-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.84
Rot. Bonds5

About 2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide

2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide (PubChem CID 111378618) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide
PubChem CID111378618
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide
SMILESC/N=C(\NCCNC(=O)C(C)(C)C)N1CCN(Cc2cc(C)on2)CC1
InChIInChI=1S/C18H32N6O2/c1-14-12-15(22-26-14)13-23-8-10-24(11-9-23)17(19-5)21-7-6-20-16(25)18(2,3)4/h12H,6-11,13H2,1-5H3,(H,19,21)(H,20,25)
InChIKeyRTHMXZGGABRUPH-UHFFFAOYSA-N
XLogP0.84
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[C-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111357465
N'-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperazine-1-carboximidamide
CID 111518385
N-[[3-(dimethylamino)thiolan-3-yl]methyl]-N'-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboximidamide
CID 119156926
(2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one
CID 119835196
N'-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111378583
3-amino-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119835222
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-N'-methyl-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111984955
1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]pentan-1-one
CID 110422916
(1-aminocyclopropyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 119835162
N-[2-[[ethylamino-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methylidene]amino]ethyl]-2-hydroxybenzamide;hydroiodide
CID 111378439
(1-hydroxycyclopentyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 110907005
(5-methylfuran-2-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 56810132

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide (CID 111378618) is 2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide is C/N=C(\NCCNC(=O)C(C)(C)C)N1CCN(Cc2cc(C)on2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide?
The InChIKey is RTHMXZGGABRUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-14-12-15(22-26-14)13-23-8-10-24(11-9-23)17(19-5)21-7-6-20-16(25)18(2,3)4/h12H,6-11,13H2,1-5H3,(H,19,21)(H,20,25).
What are the key properties of 2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide?
2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide has a molecular weight of 364.49 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[[N-methyl-C-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]carbonimidoyl]amino]ethyl]propanamide is sourced from PubChem (CID 111378618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).