N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide

C11H22N2O2 — CID 79278740

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(CC)(CC)CO
InChIInChI=1S/C11H22N2O2/c1-4-7-12-8-10(15)13-11(5-2,6-3)9-14/h4,12,14H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyBCZVIEKGWIHICP-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.43
Rot. Bonds8

About N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide

N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide (PubChem CID 79278740) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide
PubChem CID79278740
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(CC)(CC)CO
InChIInChI=1S/C11H22N2O2/c1-4-7-12-8-10(15)13-11(5-2,6-3)9-14/h4,12,14H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyBCZVIEKGWIHICP-UHFFFAOYSA-N
XLogP0.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.43
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-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide (CID 79278740) is N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC(CC)(CC)CO.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide?
The InChIKey is BCZVIEKGWIHICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-7-12-8-10(15)13-11(5-2,6-3)9-14/h4,12,14H,1,5-9H2,2-3H3,(H,13,15).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide has a molecular weight of 214.31 g/mol, XLogP of 0.43, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79278740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).