N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide

C10H19NO2 — CID 107151804

IUPACN-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
SMILESC=CC(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-9(13)11-7-8(12)6-10(2,3)4/h5,8,12H,1,6-7H2,2-4H3,(H,11,13)
InChIKeyZNAGYCQWUQLTSS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds4

About N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide

N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide (PubChem CID 107151804) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
PubChem CID107151804
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide
SMILESC=CC(=O)NCC(O)CC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-9(13)11-7-8(12)6-10(2,3)4/h5,8,12H,1,6-7H2,2-4H3,(H,11,13)
InChIKeyZNAGYCQWUQLTSS-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-hydroxypropyl)prop-2-enamide
CID 130759182
N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
N-[2-hydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87314754
N-(2-hydroxy-4,4-dimethylpentyl)-4,4-dimethylpentanamide
CID 113239541
N-[2-hydroxy-3-[2-[2-hydroxy-3-(prop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 88530636
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
CID 103797355
N-(2-hydroxy-4,4-dimethylpentyl)-4-oxopentanamide
CID 107153016
N-(2-aminopropyl)prop-2-enamide
CID 19993421
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide
CID 107152773
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide (CID 107151804) is N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide is C=CC(=O)NCC(O)CC(C)(C)C.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide?
The InChIKey is ZNAGYCQWUQLTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-9(13)11-7-8(12)6-10(2,3)4/h5,8,12H,1,6-7H2,2-4H3,(H,11,13).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide?
N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)prop-2-enamide is sourced from PubChem (CID 107151804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).