1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide

C13H24N4O3 — CID 76920076

IUPAC1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide
SMILESCNC(=O)CN(C)C(=O)C1(C(N)=NO)CCCCCC1
InChIInChI=1S/C13H24N4O3/c1-15-10(18)9-17(2)12(19)13(11(14)16-20)7-5-3-4-6-8-13/h20H,3-9H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyWYRZIYOFBMRPHH-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.28
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide (PubChem CID 76920076) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide
PubChem CID76920076
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide
SMILESCNC(=O)CN(C)C(=O)C1(C(N)=NO)CCCCCC1
InChIInChI=1S/C13H24N4O3/c1-15-10(18)9-17(2)12(19)13(11(14)16-20)7-5-3-4-6-8-13/h20H,3-9H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyWYRZIYOFBMRPHH-UHFFFAOYSA-N
XLogP0.28
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.28
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide
CID 76921395
N-[2-(dimethylamino)-2-oxoethyl]-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide
CID 76920181
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcycloheptane-1-carboxamide
CID 104871085
N-(cyclohexylmethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide
CID 76921659
1-(N'-hydroxycarbamimidoyl)-N-(5-hydroxypentyl)-N-methylcyclohexane-1-carboxamide
CID 107201861
N-[3-(dimethylamino)propyl]-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide
CID 80594713
1-(N'-hydroxycarbamimidoyl)-N-[3-(methylamino)-3-oxopropyl]cycloheptane-1-carboxamide
CID 76927089
4-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]oxane-4-carboxamide
CID 76921663
N-(2-amino-2-oxoethyl)-N-ethyl-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 103103732
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcycloheptane-1-carboxamide
CID 76919966
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 76920249
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 76920039

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide (CID 76920076) is 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide is CNC(=O)CN(C)C(=O)C1(C(N)=NO)CCCCCC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide?
The InChIKey is WYRZIYOFBMRPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-15-10(18)9-17(2)12(19)13(11(14)16-20)7-5-3-4-6-8-13/h20H,3-9H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 76920076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).