3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide

C12H19N3O3 — CID 76921566

IUPAC3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)C(C)(C)C(N)=NO)o1
InChIInChI=1S/C12H19N3O3/c1-7-5-6-9(18-7)8(2)14-11(16)12(3,4)10(13)15-17/h5-6,8,17H,1-4H3,(H2,13,15)(H,14,16)
InChIKeyFDIDWCGQXJDSTM-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.54
Rot. Bonds4

About 3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide

3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide (PubChem CID 76921566) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
PubChem CID76921566
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)C(C)(C)C(N)=NO)o1
InChIInChI=1S/C12H19N3O3/c1-7-5-6-9(18-7)8(2)14-11(16)12(3,4)10(13)15-17/h5-6,8,17H,1-4H3,(H2,13,15)(H,14,16)
InChIKeyFDIDWCGQXJDSTM-UHFFFAOYSA-N
XLogP1.54
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.54
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

2-hydroxy-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 104936607
2,2,2-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 62491445
2-carbamothioyl-2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 113270559
3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 76921299
3-amino-N-[1-(4-bromophenyl)ethyl]-3-hydroxyimino-2,2-dimethylpropanamide
CID 76921569
(2R)-2-amino-3,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]butanamide
CID 103928680
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-enamide
CID 43697663
2-methyl-2-[methyl-[1-(5-methylfuran-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 62821673
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
2-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-piperidin-3-ylpropanamide
CID 83198706
1-amino-3-[1-(5-methylfuran-2-yl)ethyl]thiourea
CID 61480392
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 43697661

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide (CID 76921566) is 3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide is Cc1ccc(C(C)NC(=O)C(C)(C)C(N)=NO)o1.
What is the InChIKey of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
The InChIKey is FDIDWCGQXJDSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7-5-6-9(18-7)8(2)14-11(16)12(3,4)10(13)15-17/h5-6,8,17H,1-4H3,(H2,13,15)(H,14,16).
What are the key properties of 3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide?
3-amino-3-hydroxyimino-2,2-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide has a molecular weight of 253.30 g/mol, XLogP of 1.54, 4 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-[1-(5-methylfuran-2-yl)ethyl]propanamide is sourced from PubChem (CID 76921566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).