N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide

C10H20N2O2 — CID 115360356

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC(C)(C)CO
InChIInChI=1S/C10H20N2O2/c1-4-5-11-6-9(14)12-7-10(2,3)8-13/h4,11,13H,1,5-8H2,2-3H3,(H,12,14)
InChIKeyCMUIKPKNVKELRU-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.10
Rot. Bonds7

About N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide

N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide (PubChem CID 115360356) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide
PubChem CID115360356
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCC(C)(C)CO
InChIInChI=1S/C10H20N2O2/c1-4-5-11-6-9(14)12-7-10(2,3)8-13/h4,11,13H,1,5-8H2,2-3H3,(H,12,14)
InChIKeyCMUIKPKNVKELRU-UHFFFAOYSA-N
XLogP-0.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide (CID 115360356) is N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCC(C)(C)CO.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is CMUIKPKNVKELRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-4-5-11-6-9(14)12-7-10(2,3)8-13/h4,11,13H,1,5-8H2,2-3H3,(H,12,14).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide?
N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 200.28 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 115360356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).