butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate

C20H41NO6 — CID 90877716

IUPACbutan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNOC(C)CC.CCC(C)O.CCC(C)OC(C)=O
InChIInChI=1S/C10H19NO3.C6H12O2.C4H10O/c1-5-9(4)14-11-6-7-13-10(12)8(2)3;1-4-5(2)8-6(3)7;1-3-4(2)5/h9,11H,2,5-7H2,1,3-4H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3
InChIKeyMAPWVWTZEXNXMZ-UHFFFAOYSA-N
MW391.55 g/mol
LogP3.55
Rot. Bonds10

About butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate

butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate (PubChem CID 90877716) has the molecular formula C20H41NO6 and a molecular weight of 391.55 g/mol. Its IUPAC name is butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebutan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate
PubChem CID90877716
Molecular FormulaC20H41NO6
Molecular Weight391.55 g/mol
Exact Mass391.29
IUPAC Namebutan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNOC(C)CC.CCC(C)O.CCC(C)OC(C)=O
InChIInChI=1S/C10H19NO3.C6H12O2.C4H10O/c1-5-9(4)14-11-6-7-13-10(12)8(2)3;1-4-5(2)8-6(3)7;1-3-4(2)5/h9,11H,2,5-7H2,1,3-4H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3
InChIKeyMAPWVWTZEXNXMZ-UHFFFAOYSA-N
XLogP3.55
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.55
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
sodium;butan-2-ol;butan-2-yl acetate;methane;hydroxide
CID 169429700
butan-2-ol;butan-2-yl acetate;(E)-but-2-ene
CID 167575507
butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxymethoxy)prop-2-enyl acetate;methane
CID 159335875
2-(2-methoxybutanoylamino)ethyl 2-methylprop-2-enoate
CID 166937691
dibutan-2-yl (E)-but-2-enedioate;dipropan-2-yl (E)-but-2-enedioate;2-hydroxyethyl 2-methylprop-2-enoate
CID 131747480
2-[(3-acetyloxy-5-hydroxyheptoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 169077980
2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58975887
2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 146520905
butan-2-ol;2-(5-hydroxyhexan-3-yloxycarbonylamino)ethyl 2-methylprop-2-enoate;2-isocyanatoethyl 2-methylprop-2-enoate
CID 159841339
butan-2-ol;2-prop-1-en-2-yloxybutane
CID 159582124
2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate (CID 90877716) is butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNOC(C)CC.CCC(C)O.CCC(C)OC(C)=O.
What is the InChIKey of butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate?
The InChIKey is MAPWVWTZEXNXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C6H12O2.C4H10O/c1-5-9(4)14-11-6-7-13-10(12)8(2)3;1-4-5(2)8-6(3)7;1-3-4(2)5/h9,11H,2,5-7H2,1,3-4H3;5H,4H2,1-3H3;4-5H,3H2,1-2H3.
What are the key properties of butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate?
butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate has a molecular weight of 391.55 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;butan-2-yl acetate;2-(butan-2-yloxyamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 90877716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).