N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide

C15H29N3O2 — CID 76943287

IUPACN-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
SMILESCCC(NC(=O)C(C(N)=NO)C(C)C)C1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-4-12(11-8-6-5-7-9-11)17-15(19)13(10(2)3)14(16)18-20/h10-13,20H,4-9H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyPOHYGLYRIQLWTD-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.48
Rot. Bonds6

About N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide

N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide (PubChem CID 76943287) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
PubChem CID76943287
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
SMILESCCC(NC(=O)C(C(N)=NO)C(C)C)C1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-4-12(11-8-6-5-7-9-11)17-15(19)13(10(2)3)14(16)18-20/h10-13,20H,4-9H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyPOHYGLYRIQLWTD-UHFFFAOYSA-N
XLogP2.48
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925273
(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide
CID 55209783
2-(aminomethyl)-N-(1-cyclohexylpropyl)-3-methylbutanamide
CID 62406666
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596824
N-(cyclopentylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76925494
N-(1-cyclohexylpropyl)acetamide
CID 45119320
2-(1-cyclohexylpropylcarbamoylamino)-3-methylbutanoic acid
CID 62406363
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(4-methylcyclohexyl)butanamide
CID 76924598
1-cyclohexylpropylthiourea
CID 62407553
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
CID 104876980
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926150

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The IUPAC name of N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide (CID 76943287) is N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide.
What is the SMILES notation for N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The canonical SMILES for N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide is CCC(NC(=O)C(C(N)=NO)C(C)C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The InChIKey is POHYGLYRIQLWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-12(11-8-6-5-7-9-11)17-15(19)13(10(2)3)14(16)18-20/h10-13,20H,4-9H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide has a molecular weight of 283.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylpropyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide is sourced from PubChem (CID 76943287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).