N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide

C9H20N4O2 — CID 123137828

IUPACN-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide
SMILESC/N=C(\N)NCCCCC(=O)NCCO
InChIInChI=1S/C9H20N4O2/c1-11-9(10)13-5-3-2-4-8(15)12-6-7-14/h14H,2-7H2,1H3,(H,12,15)(H3,10,11,13)
InChIKeyZNNLSPPNRKEZBP-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.20
Rot. Bonds7

About N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide

N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide (PubChem CID 123137828) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide
PubChem CID123137828
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC NameN-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide
SMILESC/N=C(\N)NCCCCC(=O)NCCO
InChIInChI=1S/C9H20N4O2/c1-11-9(10)13-5-3-2-4-8(15)12-6-7-14/h14H,2-7H2,1H3,(H,12,15)(H3,10,11,13)
InChIKeyZNNLSPPNRKEZBP-UHFFFAOYSA-N
XLogP-1.20
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62359742
N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen
CID 155596032
(E)-N'-(2-hydroxyethyl)octadec-9-enediamide
CID 87767010
6-[[2-[[2-(2-hydroxyethylamino)-2-oxoethyl]amino]acetyl]amino]hexanamide
CID 123271475
9-(2-hydroxyethylamino)-9-oxononanoic acid
CID 57483082
22-(docosanoylamino)docosanamide
CID 90926402
N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
6-hydroxy-N-tetradecylhexanamide
CID 20542961

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide?
The IUPAC name of N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide (CID 123137828) is N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide is C/N=C(\N)NCCCCC(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide?
The InChIKey is ZNNLSPPNRKEZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-11-9(10)13-5-3-2-4-8(15)12-6-7-14/h14H,2-7H2,1H3,(H,12,15)(H3,10,11,13).
What are the key properties of N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide?
N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide has a molecular weight of 216.28 g/mol, XLogP of -1.20, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-[(N'-methylcarbamimidoyl)amino]pentanamide is sourced from PubChem (CID 123137828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).