N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide

C10H18N2O2 — CID 82737943

IUPACN-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)C1CCOC1
InChIInChI=1S/C10H18N2O2/c1-3-5-11-7-10(13)12(2)9-4-6-14-8-9/h3,9,11H,1,4-8H2,2H3
InChIKeyIULUVPUOBQGQCD-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.01
Rot. Bonds5

About N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide

N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 82737943) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide
PubChem CID82737943
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)C1CCOC1
InChIInChI=1S/C10H18N2O2/c1-3-5-11-7-10(13)12(2)9-4-6-14-8-9/h3,9,11H,1,4-8H2,2H3
InChIKeyIULUVPUOBQGQCD-UHFFFAOYSA-N
XLogP0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.01
H-Bond Donors ≤ 51
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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Related Compounds

N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79278136
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917
3-amino-N-methyl-N-(oxolan-3-yl)-3-sulfanylidenepropanamide
CID 82738625
3-amino-3-hydroxyimino-N-methyl-N-(oxolan-3-yl)propanamide
CID 82749549
5-[methyl(oxolan-3-yl)amino]-5-oxopentanoic acid
CID 82732881
3-ethyl-1-methyl-1-(oxolan-3-yl)urea
CID 115616986
4-amino-N,4-dimethyl-N-(oxolan-3-yl)pentanamide
CID 81489962
N,N-bis(cyclopropylmethyl)-2-(prop-2-enylamino)acetamide
CID 79277849
N-(2-aminoethyl)-N'-methyl-N'-(oxolan-3-yl)oxamide
CID 82740649
2-(2-hydroxyphenyl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 80717573
3-tert-butyl-1-methyl-1-(oxolan-3-yl)urea
CID 115695106
2-(4-aminopiperidin-1-yl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 81489412

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide (CID 82737943) is N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(C)C1CCOC1.
What is the InChIKey of N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is IULUVPUOBQGQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-5-11-7-10(13)12(2)9-4-6-14-8-9/h3,9,11H,1,4-8H2,2H3.
What are the key properties of N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide?
N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 198.27 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 82737943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).