N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide

C12H23NO2 — CID 103029078

IUPACN-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide
SMILESCCCN(CC1CC1)C(=O)C(C)(C)OC
InChIInChI=1S/C12H23NO2/c1-5-8-13(9-10-6-7-10)11(14)12(2,3)15-4/h10H,5-9H2,1-4H3
InChIKeyTVWXTZADDXIUJZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds6

About N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide

N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide (PubChem CID 103029078) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide
PubChem CID103029078
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide
SMILESCCCN(CC1CC1)C(=O)C(C)(C)OC
InChIInChI=1S/C12H23NO2/c1-5-8-13(9-10-6-7-10)11(14)12(2,3)15-4/h10H,5-9H2,1-4H3
InChIKeyTVWXTZADDXIUJZ-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide (CID 103029078) is N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide is CCCN(CC1CC1)C(=O)C(C)(C)OC.
What is the InChIKey of N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide?
The InChIKey is TVWXTZADDXIUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-8-13(9-10-6-7-10)11(14)12(2,3)15-4/h10H,5-9H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide?
N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methoxy-2-methyl-N-propylpropanamide is sourced from PubChem (CID 103029078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).