3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide

C11H23N3O3 — CID 82944389

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide
SMILESCCCOCCCNC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-4-7-17-8-5-6-13-10(15)11(2,3)9(12)14-16/h16H,4-8H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyACLSRYJZWOWMCK-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.69
Rot. Bonds8

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide (PubChem CID 82944389) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide
PubChem CID82944389
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide
SMILESCCCOCCCNC(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C11H23N3O3/c1-4-7-17-8-5-6-13-10(15)11(2,3)9(12)14-16/h16H,4-8H2,1-3H3,(H2,12,14)(H,13,15)
InChIKeyACLSRYJZWOWMCK-UHFFFAOYSA-N
XLogP0.69
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N'-hydroxycarbamimidoyl)-N-(3-propoxypropyl)-2-propylpentanamide
CID 82942363
3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-methylsulfinylpropyl)propanamide
CID 104866162
N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 104865064
N'-hydroxy-2,2-dimethyl-5-propoxypentanimidamide
CID 77063203
3-amino-3-methyl-N-(3-propoxypropyl)butanamide
CID 82940158
3-amino-3-hydroxyimino-2,2-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]propanamide
CID 76947361
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919874
N'-(3-propoxypropyl)butanediamide
CID 153375512
3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920074

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide (CID 82944389) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide is CCCOCCCNC(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide?
The InChIKey is ACLSRYJZWOWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-4-7-17-8-5-6-13-10(15)11(2,3)9(12)14-16/h16H,4-8H2,1-3H3,(H2,12,14)(H,13,15).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide has a molecular weight of 245.32 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide is sourced from PubChem (CID 82944389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).