N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide

C10H19NO2 — CID 167098282

IUPACN-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)(C)OC(C)C
InChIInChI=1S/C10H19NO2/c1-6-9(12)11-7-10(4,5)13-8(2)3/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeyDBPUIISXQHLZEM-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds5

About N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide

N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide (PubChem CID 167098282) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide
PubChem CID167098282
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide
SMILESC=CC(=O)NCC(C)(C)OC(C)C
InChIInChI=1S/C10H19NO2/c1-6-9(12)11-7-10(4,5)13-8(2)3/h6,8H,1,7H2,2-5H3,(H,11,12)
InChIKeyDBPUIISXQHLZEM-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfate
CID 174730556
N-[2-methyl-2-(methylamino)propyl]prop-2-enamide
CID 155577367
potassium;hydride;[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfite
CID 174951476
N-(2-ethyl-2-methylbutyl)prop-2-enamide
CID 146614205
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
2-hydroxy-2-methyl-3-(prop-2-enoylamino)propane-1-sulfonic acid
CID 174974804
N-[2-[(but-3-en-2-ylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide
CID 155201474
potassium;2,2-dimethyl-3-(prop-2-enoylamino)propane-1-sulfonic acid;hydride
CID 174745288
N-(3-ethoxy-3-methylbutyl)prop-2-enamide
CID 123897679
N-(4-propan-2-yloxybutyl)prop-2-enamide
CID 59532945
N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 89037508

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide?
The IUPAC name of N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide (CID 167098282) is N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide is C=CC(=O)NCC(C)(C)OC(C)C.
What is the InChIKey of N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide?
The InChIKey is DBPUIISXQHLZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-9(12)11-7-10(4,5)13-8(2)3/h6,8H,1,7H2,2-5H3,(H,11,12).
What are the key properties of N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide?
N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide is sourced from PubChem (CID 167098282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).