N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide

C12H23NO2 — CID 20614530

IUPACN-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide
SMILESCOCC(C)NC(=O)C1(C)CC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-9(6-15-5)13-10(14)12(4)7-11(2,3)8-12/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyXREAUQYQWLFZQV-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide

N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide (PubChem CID 20614530) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide
PubChem CID20614530
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide
SMILESCOCC(C)NC(=O)C1(C)CC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-9(6-15-5)13-10(14)12(4)7-11(2,3)8-12/h9H,6-8H2,1-5H3,(H,13,14)
InChIKeyXREAUQYQWLFZQV-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide
CID 22690993
1-cyano-N-[1-(2-methoxyethoxy)propan-2-yl]cyclobutane-1-carboxamide
CID 72125801
1-methyl-N-[(2S)-1-(2-methylpropoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 97016024
2-ethyl-N-(1-methoxypropan-2-yl)hexanamide
CID 2904887
N-(1-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 3283275
N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 4628761
N-(2-methoxyethyl)-2,2-dimethylbutanamide
CID 4628762
N-(2-methoxyethyl)-2-methylpentanamide
CID 4628925
3-chloro-N-(1-methoxypropan-2-yl)-1,3-dimethylcyclobutane-1-carboxamide
CID 20614522
N-(3-methoxybutan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide
CID 20614531
1,3,3-trimethyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 20614532
CID 20736991
CID 20736991

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide (CID 20614530) is N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide is COCC(C)NC(=O)C1(C)CC(C)(C)C1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide?
The InChIKey is XREAUQYQWLFZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(6-15-5)13-10(14)12(4)7-11(2,3)8-12/h9H,6-8H2,1-5H3,(H,13,14).
What are the key properties of N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide?
N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide has a molecular weight of 213.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1,3,3-trimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 20614530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).