N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide

C12H23NO2 — CID 88937389

IUPACN-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(CC)COC(C)(C)CC
InChIInChI=1S/C12H23NO2/c1-6-10(13-11(14)7-2)9-15-12(4,5)8-3/h7,10H,2,6,8-9H2,1,3-5H3,(H,13,14)
InChIKeyPTLAIBXEGRVQOK-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.27
Rot. Bonds7

About N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide

N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide (PubChem CID 88937389) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide
PubChem CID88937389
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(CC)COC(C)(C)CC
InChIInChI=1S/C12H23NO2/c1-6-10(13-11(14)7-2)9-15-12(4,5)8-3/h7,10H,2,6,8-9H2,1,3-5H3,(H,13,14)
InChIKeyPTLAIBXEGRVQOK-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide 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

N-(1-methoxybutan-2-yl)prop-2-enamide
CID 14419449
N-(1-methoxybutan-2-yl)-2-methylprop-2-enamide
CID 14419450
N-(2-butoxyethyl)prop-2-enamide
CID 18970995
N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 19105381
N-[1-[2-(2-aminopropoxy)ethoxy]propan-2-yl]prop-2-enamide
CID 57827928
N-(2-butan-2-yloxyethyl)prop-2-enamide
CID 58805569
N-[3-methyl-3-[3-methyl-3-(prop-2-enoylamino)butoxy]butyl]prop-2-enamide
CID 89222192
N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide
CID 89248968
N-[4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide
CID 89346405
N-(2-methoxy-2-methylpropyl)prop-2-enamide
CID 104759827
N-(2-ethoxypropyl)prop-2-enamide
CID 116126320
N-[(3S,4R)-4-methyloxolan-3-yl]prop-2-enamide
CID 118043453

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide?
The IUPAC name of N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide (CID 88937389) is N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide?
The canonical SMILES for N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide is C=CC(=O)NC(CC)COC(C)(C)CC.
What is the InChIKey of N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide?
The InChIKey is PTLAIBXEGRVQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-10(13-11(14)7-2)9-15-12(4,5)8-3/h7,10H,2,6,8-9H2,1,3-5H3,(H,13,14).
What are the key properties of N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide?
N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide is sourced from PubChem (CID 88937389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).