N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide

C9H18N2O2 — CID 79280206

IUPACN-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)CC(C)O
InChIInChI=1S/C9H18N2O2/c1-4-5-10-6-9(13)11(3)7-8(2)12/h4,8,10,12H,1,5-7H2,2-3H3
InChIKeyUALXRQMTVCHARI-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.40
Rot. Bonds6

About N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide

N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide (PubChem CID 79280206) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide
PubChem CID79280206
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)CC(C)O
InChIInChI=1S/C9H18N2O2/c1-4-5-10-6-9(13)11(3)7-8(2)12/h4,8,10,12H,1,5-7H2,2-3H3
InChIKeyUALXRQMTVCHARI-UHFFFAOYSA-N
XLogP-0.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
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-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide (CID 79280206) is N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(C)CC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide?
The InChIKey is UALXRQMTVCHARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-5-10-6-9(13)11(3)7-8(2)12/h4,8,10,12H,1,5-7H2,2-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide?
N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide has a molecular weight of 186.25 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79280206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).