N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide

C18H38N4O2 — CID 176539365

IUPACN'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide
SMILESCO/N=C(\C)NCCCCCCCCCCCCN/C(C)=N/OC
InChIInChI=1S/C18H38N4O2/c1-17(21-23-3)19-15-13-11-9-7-5-6-8-10-12-14-16-20-18(2)22-24-4/h5-16H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyLFYMZIRDLBTHLE-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.03
Rot. Bonds15

About N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide

N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide (PubChem CID 176539365) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide.

Molecular Properties

Compound NameN'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide
PubChem CID176539365
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC NameN'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide
SMILESCO/N=C(\C)NCCCCCCCCCCCCN/C(C)=N/OC
InChIInChI=1S/C18H38N4O2/c1-17(21-23-3)19-15-13-11-9-7-5-6-8-10-12-14-16-20-18(2)22-24-4/h5-16H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyLFYMZIRDLBTHLE-UHFFFAOYSA-N
XLogP4.03
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide with MolForge

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Related Compounds

methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
(butan-2-ylideneamino) N-[6-[[(E)-butan-2-ylideneamino]oxycarbonylamino]hexyl]carbamate
CID 153406535
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
O-methyl N-octadecylcarbamothioate
CID 3568843
methyl N-nonylcarbamate
CID 5102101
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
1,2,3-tris(5-methoxypentyl)guanidine
CID 102441761
methyl 2-[4-[(2-methoxy-2-oxoacetyl)amino]butylamino]-2-oxoacetate
CID 118608572
N-(4,4-dimethylpentyl)-N'-methylethanimidamide
CID 59630968
N-[8-[hydroxy(methyl)amino]octyl]acetamide
CID 171589323
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
ethane;N-pentyl-3-(propan-2-ylideneamino)oxypropanamide
CID 145076834

Frequently Asked Questions

What is the IUPAC name of N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide?
The IUPAC name of N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide (CID 176539365) is N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide.
What is the SMILES notation for N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide?
The canonical SMILES for N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide is CO/N=C(\C)NCCCCCCCCCCCCN/C(C)=N/OC.
What is the InChIKey of N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide?
The InChIKey is LFYMZIRDLBTHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O2/c1-17(21-23-3)19-15-13-11-9-7-5-6-8-10-12-14-16-20-18(2)22-24-4/h5-16H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide?
N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide has a molecular weight of 342.53 g/mol, XLogP of 4.03, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxy-N-[12-[[(E)-N-methoxy-C-methylcarbonimidoyl]amino]dodecyl]ethanimidamide is sourced from PubChem (CID 176539365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).