N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide

C13H23NO3 — CID 105338653

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)C1CC1(C)C
InChIInChI=1S/C13H23NO3/c1-12(2)8-10(12)11(15)14(3)9-13(16)4-6-17-7-5-13/h10,16H,4-9H2,1-3H3
InChIKeyKZAQVJJPIZKOSI-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.03
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide (PubChem CID 105338653) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
PubChem CID105338653
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)C1CC1(C)C
InChIInChI=1S/C13H23NO3/c1-12(2)8-10(12)11(15)14(3)9-13(16)4-6-17-7-5-13/h10,16H,4-9H2,1-3H3
InChIKeyKZAQVJJPIZKOSI-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 114949080
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704148
(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 105359461
N-[(4-hydroxyoxan-4-yl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 114949202
(1S)-N-ethyl-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131110445
N-[(4-hydroxyoxan-4-yl)methyl]-N,2-dimethylpiperidine-3-carboxamide
CID 114949616
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114948737
ethyl N-[(4-hydroxyoxan-4-yl)methyl]-N-methylcarbamate
CID 114951750
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114949096
3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethyl-3-oxopropanoic acid
CID 114951180
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-propylpentanamide
CID 114951401

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide (CID 105338653) is N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide is CN(CC1(O)CCOCC1)C(=O)C1CC1(C)C.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide?
The InChIKey is KZAQVJJPIZKOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2)8-10(12)11(15)14(3)9-13(16)4-6-17-7-5-13/h10,16H,4-9H2,1-3H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N,2,2-trimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 105338653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).