N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide

C15H29N3O3 — CID 76921371

IUPACN-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
SMILESCCC(C)N(CCOC)C(=O)C1(C(N)=NO)CCCCC1
InChIInChI=1S/C15H29N3O3/c1-4-12(2)18(10-11-21-3)14(19)15(13(16)17-20)8-6-5-7-9-15/h12,20H,4-11H2,1-3H3,(H2,16,17)
InChIKeyAQQHCAGWSYGJHW-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.96
Rot. Bonds7

About N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide

N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide (PubChem CID 76921371) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
PubChem CID76921371
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC NameN-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
SMILESCCC(C)N(CCOC)C(=O)C1(C(N)=NO)CCCCC1
InChIInChI=1S/C15H29N3O3/c1-4-12(2)18(10-11-21-3)14(19)15(13(16)17-20)8-6-5-7-9-15/h12,20H,4-11H2,1-3H3,(H2,16,17)
InChIKeyAQQHCAGWSYGJHW-UHFFFAOYSA-N
XLogP1.96
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
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 N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-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

1-(N'-hydroxycarbamimidoyl)-N,N-bis(2-methoxyethyl)cyclohexane-1-carboxamide
CID 76921125
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)cyclobutane-1-carboxamide
CID 80597255
4-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)-N-propan-2-yloxane-4-carboxamide
CID 82961261
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 76921771
1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)cycloheptane-1-carboxamide
CID 104861721
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclohexane-1-carboxamide
CID 79470522
1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 76921426
N-ethyl-1-(N'-hydroxycarbamimidoyl)-N-(2-methylbutyl)cyclopentane-1-carboxamide
CID 79470174
N-(2-amino-2-oxoethyl)-1-(N'-hydroxycarbamimidoyl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 76921107
1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N-methylcyclopentane-1-carboxamide
CID 104553308
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)cycloheptane-1-carboxamide
CID 103955292
1-(N'-hydroxycarbamimidoyl)-N-(2-methylpropyl)-N-pentan-3-ylcyclopropane-1-carboxamide
CID 80594392

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide (CID 76921371) is N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide is CCC(C)N(CCOC)C(=O)C1(C(N)=NO)CCCCC1.
What is the InChIKey of N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is AQQHCAGWSYGJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-4-12(2)18(10-11-21-3)14(19)15(13(16)17-20)8-6-5-7-9-15/h12,20H,4-11H2,1-3H3,(H2,16,17).
What are the key properties of N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(N'-hydroxycarbamimidoyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 76921371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).