N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide

C22H31NO5 — CID 26397160

IUPACN-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CC2)cc1OCC1(C)COC1
InChIInChI=1S/C22H31NO5/c1-22(13-26-14-22)15-28-20-10-16(5-8-19(20)25-2)11-23(21(24)17-6-7-17)12-18-4-3-9-27-18/h5,8,10,17-18H,3-4,6-7,9,11-15H2,1-2H3/t18-/m0/s1
InChIKeyHBDZCEYAGIUSSM-SFHVURJKSA-N
MW389.49 g/mol
LogP3.03
Rot. Bonds9

About N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide

N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 26397160) has the molecular formula C22H31NO5 and a molecular weight of 389.49 g/mol. Its IUPAC name is N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
PubChem CID26397160
Molecular FormulaC22H31NO5
Molecular Weight389.49 g/mol
Exact Mass389.22
IUPAC NameN-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
SMILESCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CC2)cc1OCC1(C)COC1
InChIInChI=1S/C22H31NO5/c1-22(13-26-14-22)15-28-20-10-16(5-8-19(20)25-2)11-23(21(24)17-6-7-17)12-18-4-3-9-27-18/h5,8,10,17-18H,3-4,6-7,9,11-15H2,1-2H3/t18-/m0/s1
InChIKeyHBDZCEYAGIUSSM-SFHVURJKSA-N
XLogP3.03
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 118754774
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pent-4-enamide
CID 42499790
(E)-3-(2-chlorophenyl)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]prop-2-enamide
CID 26400236
(E)-3-(2-chlorophenyl)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide
CID 26400235
2-fluoro-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 26319724
(E)-N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-3-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 118756844
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 26343215
3,4-dimethoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24678698
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165554
N-[(3,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 51687516
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
CID 78808324

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide (CID 26397160) is N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide is COc1ccc(CN(C[C@@H]2CCCO2)C(=O)C2CC2)cc1OCC1(C)COC1.
What is the InChIKey of N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is HBDZCEYAGIUSSM-SFHVURJKSA-N. The full InChI is InChI=1S/C22H31NO5/c1-22(13-26-14-22)15-28-20-10-16(5-8-19(20)25-2)11-23(21(24)17-6-7-17)12-18-4-3-9-27-18/h5,8,10,17-18H,3-4,6-7,9,11-15H2,1-2H3/t18-/m0/s1.
What are the key properties of N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide?
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 389.49 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 26397160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).