N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide

C11H17N3O3 — CID 76952808

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide
SMILESCC(CNC(=O)CCc1ccco1)C(N)=NO
InChIInChI=1S/C11H17N3O3/c1-8(11(12)14-16)7-13-10(15)5-4-9-3-2-6-17-9/h2-3,6,8,16H,4-5,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyHQJKWNPHDCOPEA-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.71
Rot. Bonds6

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide (PubChem CID 76952808) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide
PubChem CID76952808
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide
SMILESCC(CNC(=O)CCc1ccco1)C(N)=NO
InChIInChI=1S/C11H17N3O3/c1-8(11(12)14-16)7-13-10(15)5-4-9-3-2-6-17-9/h2-3,6,8,16H,4-5,7H2,1H3,(H2,12,14)(H,13,15)
InChIKeyHQJKWNPHDCOPEA-UHFFFAOYSA-N
XLogP0.71
TPSA100.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.71
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

3-(furan-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83032070
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-phenylpropanamide
CID 55102577
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-2-carboxamide
CID 76952760
N-(2-ethylbutyl)-3-(furan-2-yl)propanamide
CID 115612823
N-(2-aminoethyl)-3-(furan-2-yl)propanamide
CID 28779702
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 38924524
2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
CID 77030711
(2S)-5-amino-2-[3-(furan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 28779213
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]-3-(furan-2-yl)propanamide
CID 110312529
2-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)propanoylamino]propanamide
CID 56819916

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide (CID 76952808) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide is CC(CNC(=O)CCc1ccco1)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide?
The InChIKey is HQJKWNPHDCOPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(11(12)14-16)7-13-10(15)5-4-9-3-2-6-17-9/h2-3,6,8,16H,4-5,7H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide has a molecular weight of 239.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 76952808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).