3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide

C8H17N3O3 — CID 104861865

IUPAC3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CC(N)=NO
InChIInChI=1S/C8H17N3O3/c1-2-11(4-3-5-12)8(13)6-7(9)10-14/h12,14H,2-6H2,1H3,(H2,9,10)
InChIKeyAKUPVDPXNIYAOD-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.65
Rot. Bonds6

About 3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide

3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide (PubChem CID 104861865) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide
PubChem CID104861865
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CC(N)=NO
InChIInChI=1S/C8H17N3O3/c1-2-11(4-3-5-12)8(13)6-7(9)10-14/h12,14H,2-6H2,1H3,(H2,9,10)
InChIKeyAKUPVDPXNIYAOD-UHFFFAOYSA-N
XLogP-0.65
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.65
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

(3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide
CID 43155922
(3Z)-3-amino-N-butyl-3-hydroxyimino-N-methylpropanamide
CID 43156068
(3Z)-3-amino-N-[2-(dimethylamino)ethyl]-3-hydroxyimino-N-(2-methylpropyl)propanamide
CID 55009764
3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771223
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyloctanamide
CID 54992414
N'-ethyl-N'-hexylpropanediamide
CID 174895850
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 115771423
1-butyl-1-(3-hydroxypropyl)urea
CID 87441686
N'-hydroxy-3-oxobutanimidamide
CID 23339865
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide
CID 104982299

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide (CID 104861865) is 3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide is CCN(CCCO)C(=O)CC(N)=NO.
What is the InChIKey of 3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide?
The InChIKey is AKUPVDPXNIYAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-2-11(4-3-5-12)8(13)6-7(9)10-14/h12,14H,2-6H2,1H3,(H2,9,10).
What are the key properties of 3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide?
3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide has a molecular weight of 203.24 g/mol, XLogP of -0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 104861865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).