(E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide

C10H18N2O2 — CID 177014577

IUPAC(E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide
SMILESC/C=C(\CN(C)C1COC1)C(=O)NC
InChIInChI=1S/C10H18N2O2/c1-4-8(10(13)11-2)5-12(3)9-6-14-7-9/h4,9H,5-7H2,1-3H3,(H,11,13)/b8-4+
InChIKeyJAESFRNMWFUVEJ-XBXARRHUSA-N
MW198.27 g/mol
LogP0.01
Rot. Bonds4

About (E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide

(E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide (PubChem CID 177014577) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide
PubChem CID177014577
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide
SMILESC/C=C(\CN(C)C1COC1)C(=O)NC
InChIInChI=1S/C10H18N2O2/c1-4-8(10(13)11-2)5-12(3)9-6-14-7-9/h4,9H,5-7H2,1-3H3,(H,11,13)/b8-4+
InChIKeyJAESFRNMWFUVEJ-XBXARRHUSA-N
XLogP0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(oxetan-3-yl)amino]acetic acid
CID 82417781
tert-butyl 2-[methyl(oxetan-3-yl)amino]acetate
CID 163286790
N-[(E)-but-2-enyl]-N-methyloxetan-3-amine
CID 144509687
N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane
CID 145029071
(Z)-2-[(dimethylamino)methyl]-3-fluoro-N-methylprop-2-enamide
CID 171507573
N-butyl-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266751
N-(cyclopropylmethyl)-N-methyloxetan-3-amine
CID 123685252
N-(3-aminopropyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
CID 82731736
6-[methyl(oxolan-3-yl)amino]hexanehydrazide
CID 82753777
2-[cyclopentyl-[4-(methylamino)oxolane-3-carbonyl]amino]acetic acid
CID 66265046
2-[(1-acetylpiperidin-4-yl)-methylamino]-N-methylacetamide
CID 145317126
N-(azetidin-3-yl)-2-(dimethylamino)-N-(oxetan-3-yl)acetamide
CID 165448311

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide?
The IUPAC name of (E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide (CID 177014577) is (E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide.
What is the SMILES notation for (E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide?
The canonical SMILES for (E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide is C/C=C(\CN(C)C1COC1)C(=O)NC.
What is the InChIKey of (E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide?
The InChIKey is JAESFRNMWFUVEJ-XBXARRHUSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-8(10(13)11-2)5-12(3)9-6-14-7-9/h4,9H,5-7H2,1-3H3,(H,11,13)/b8-4+.
What are the key properties of (E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide?
(E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide has a molecular weight of 198.27 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-2-[[methyl(oxetan-3-yl)amino]methyl]but-2-enamide is sourced from PubChem (CID 177014577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).