N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide

C12H23NO2 — CID 20790263

IUPACN-tert-butyl-3-cyclopropyl-2-ethoxypropanamide
SMILESCCOC(CC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-15-10(8-9-6-7-9)11(14)13-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyDBYXDCPHEAOQHL-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds5

About N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide

N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide (PubChem CID 20790263) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyclopropyl-2-ethoxypropanamide
PubChem CID20790263
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-tert-butyl-3-cyclopropyl-2-ethoxypropanamide
SMILESCCOC(CC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-15-10(8-9-6-7-9)11(14)13-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyDBYXDCPHEAOQHL-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Tert-butylamino)-3-methyl-1-oxobutan-2-yl] hexanoate
CID 171346539
N-tert-butyloxane-2-carboxamide
CID 64593242
N-tert-butyl-3-cyclopropyl-2-prop-2-enoxypropanamide
CID 20790199
N-tert-butyl-2-(cyclopentylmethoxy)-3-(2-methylcyclopropyl)propanamide
CID 20790211
N-tert-butyl-2-(cyclopentylmethoxy)-3-cyclopropylpropanamide
CID 20790213
N-tert-butyl-2-(cyclopentylmethoxy)-3-methylbutanamide
CID 20790214
N-tert-butyl-2-(cyclopropylmethoxy)-3-(2-methylcyclopropyl)propanamide
CID 20790224
N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide
CID 20790225
N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide
CID 20790226
N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide
CID 20790227
N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide
CID 20790234
N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide
CID 20790237

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide?
The IUPAC name of N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide (CID 20790263) is N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide.
What is the SMILES notation for N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide?
The canonical SMILES for N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide is CCOC(CC1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide?
The InChIKey is DBYXDCPHEAOQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-15-10(8-9-6-7-9)11(14)13-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide?
N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide has a molecular weight of 213.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyclopropyl-2-ethoxypropanamide is sourced from PubChem (CID 20790263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).