N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide

C17H30N2O3 — CID 174696433

IUPACN-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CCN)(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C17H30N2O3/c1-13(2)16(20)19-17(7-8-18,11-14-5-3-9-21-14)12-15-6-4-10-22-15/h14-15H,1,3-12,18H2,2H3,(H,19,20)
InChIKeyTVEDDPXPMQGWHD-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.90
Rot. Bonds8

About N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide

N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide (PubChem CID 174696433) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide
PubChem CID174696433
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(CCN)(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C17H30N2O3/c1-13(2)16(20)19-17(7-8-18,11-14-5-3-9-21-14)12-15-6-4-10-22-15/h14-15H,1,3-12,18H2,2H3,(H,19,20)
InChIKeyTVEDDPXPMQGWHD-UHFFFAOYSA-N
XLogP1.90
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide with MolForge

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Related Compounds

2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 115780995
ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 67764408
1-(oxolan-2-yl)butane-2,2-diol
CID 141149277
2,2-dimethyl-3-[(2S)-oxolan-2-yl]propan-1-amine
CID 94565548
[2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate
CID 145163009
1-[(2R)-oxolan-2-yl]propan-2-one
CID 12812293
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine;hydrochloride
CID 122240151
N-(2-methylprop-2-enyl)-2-(oxolan-2-yl)acetamide
CID 114618448
2-methyl-2-(oxolan-2-ylmethyl)but-3-enoic acid
CID 102639762
(2S)-2-(2,2-dimethylpropyl)oxolane
CID 58780523
(2R)-2-(2,2-dimethylpropyl)oxolane
CID 58780469

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide (CID 174696433) is N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(CCN)(CC1CCCO1)CC1CCCO1.
What is the InChIKey of N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide?
The InChIKey is TVEDDPXPMQGWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-13(2)16(20)19-17(7-8-18,11-14-5-3-9-21-14)12-15-6-4-10-22-15/h14-15H,1,3-12,18H2,2H3,(H,19,20).
What are the key properties of N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide?
N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide has a molecular weight of 310.44 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide is sourced from PubChem (CID 174696433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).