2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide

C12H23N3O3 — CID 76924102

IUPAC2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide
SMILESCCCC(C(=O)NCCC1CCCO1)C(N)=NO
InChIInChI=1S/C12H23N3O3/c1-2-4-10(11(13)15-17)12(16)14-7-6-9-5-3-8-18-9/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyLQIMDXZWSGOMQH-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.83
Rot. Bonds7

About 2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide

2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide (PubChem CID 76924102) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide
PubChem CID76924102
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide
SMILESCCCC(C(=O)NCCC1CCCO1)C(N)=NO
InChIInChI=1S/C12H23N3O3/c1-2-4-10(11(13)15-17)12(16)14-7-6-9-5-3-8-18-9/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyLQIMDXZWSGOMQH-UHFFFAOYSA-N
XLogP0.83
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.83
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'}

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Related Compounds

(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 107569103
(2R)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 103794477
2-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]pentanamide
CID 76924918
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
3-(ethylamino)-2-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 62852036
2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 62856863
2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide
CID 76925702
(3S)-3-amino-4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoic acid
CID 67894474
2-carbamothioyl-2-methyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 113270597
2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide
CID 76925048
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide (CID 76924102) is 2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide is CCCC(C(=O)NCCC1CCCO1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide?
The InChIKey is LQIMDXZWSGOMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-4-10(11(13)15-17)12(16)14-7-6-9-5-3-8-18-9/h9-10,17H,2-8H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide?
2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide has a molecular weight of 257.33 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide is sourced from PubChem (CID 76924102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).