N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide

C14H29N3O2 — CID 107817673

IUPACN-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCCC(CC)CNC(=O)C(CCC)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-4-7-9-11(6-3)10-16-14(18)12(8-5-2)13(15)17-19/h11-12,19H,4-10H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyUBBDCXIZDRORDP-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.48
Rot. Bonds10

About N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide

N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 107817673) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID107817673
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC NameN-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCCC(CC)CNC(=O)C(CCC)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-4-7-9-11(6-3)10-16-14(18)12(8-5-2)13(15)17-19/h11-12,19H,4-10H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyUBBDCXIZDRORDP-UHFFFAOYSA-N
XLogP2.48
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
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

2-[(Z)-N'-hydroxycarbamimidoyl]-N-(3,3,3-trifluoropropyl)pentanamide
CID 63227867
2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 76924747
2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 76924897
2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 76988398
2-(N'-hydroxycarbamimidoyl)-N-(3,3,3-trifluoropropyl)pentanamide
CID 76988401
N-(3-amino-3-hydroxyiminopropyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81933163
N-(3-amino-3-hydroxyimino-2-methylpropyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81933202
N-(3-amino-3-hydroxyimino-2-methylpropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81933234
2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(4,4,4-trifluorobutan-2-yl)pentanamide
CID 105943881
2-(N'-hydroxycarbamimidoyl)-N-(4,4,4-trifluorobutan-2-yl)pentanamide
CID 105943883
2-(N'-hydroxycarbamimidoyl)-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106295276
N-(2,2-difluoroethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
CID 113303974

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 107817673) is N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCCC(CC)CNC(=O)C(CCC)C(N)=NO.
What is the InChIKey of N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is UBBDCXIZDRORDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-7-9-11(6-3)10-16-14(18)12(8-5-2)13(15)17-19/h11-12,19H,4-10H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 271.40 g/mol, XLogP of 2.48, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 107817673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).