3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide

C12H23N3O2 — CID 107414834

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide
SMILESCC1CCC(CNC(=O)C(C)(C)C(N)=NO)C1
InChIInChI=1S/C12H23N3O2/c1-8-4-5-9(6-8)7-14-11(16)12(2,3)10(13)15-17/h8-9,17H,4-7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyIABJCGPNTDBXNB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.31
Rot. Bonds4

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide (PubChem CID 107414834) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide
PubChem CID107414834
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide
SMILESCC1CCC(CNC(=O)C(C)(C)C(N)=NO)C1
InChIInChI=1S/C12H23N3O2/c1-8-4-5-9(6-8)7-14-11(16)12(2,3)10(13)15-17/h8-9,17H,4-7H2,1-3H3,(H2,13,15)(H,14,16)
InChIKeyIABJCGPNTDBXNB-UHFFFAOYSA-N
XLogP1.31
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.31
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

3-amino-N-(cyclopentylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919874
3-amino-N-(cyclohexylmethyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920074
2-amino-2-methyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413148
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 76951227
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 76920813
3-amino-3-hydroxyimino-2,2-dimethyl-N-(oxolan-3-ylmethyl)propanamide
CID 76950134
(3-methylcyclopentyl)methylurea
CID 20542807
2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107415477
2,2-dimethyl-3-[(4-methylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 82820923
3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide
CID 107413266
3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
N-[2-[(3-amino-3-hydroxyimino-2,2-dimethylpropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 104865064

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide (CID 107414834) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide is CC1CCC(CNC(=O)C(C)(C)C(N)=NO)C1.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide?
The InChIKey is IABJCGPNTDBXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8-4-5-9(6-8)7-14-11(16)12(2,3)10(13)15-17/h8-9,17H,4-7H2,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide has a molecular weight of 241.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 107414834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).