N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide

C20H31NO4 — CID 56791697

IUPACN-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)NCC2CCOC2C(C)(C)C)c1
InChIInChI=1S/C20H31NO4/c1-14(25-13-15-7-6-8-17(11-15)23-5)19(22)21-12-16-9-10-24-18(16)20(2,3)4/h6-8,11,14,16,18H,9-10,12-13H2,1-5H3,(H,21,22)
InChIKeyXFMKXZAVMCINQY-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.17
Rot. Bonds7

About N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide

N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide (PubChem CID 56791697) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide.

Molecular Properties

Compound NameN-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide
PubChem CID56791697
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC NameN-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCOc1cccc(COC(C)C(=O)NCC2CCOC2C(C)(C)C)c1
InChIInChI=1S/C20H31NO4/c1-14(25-13-15-7-6-8-17(11-15)23-5)19(22)21-12-16-9-10-24-18(16)20(2,3)4/h6-8,11,14,16,18H,9-10,12-13H2,1-5H3,(H,21,22)
InChIKeyXFMKXZAVMCINQY-UHFFFAOYSA-N
XLogP3.17
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methoxy]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462030
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119497040
4-[[2-[(3-methoxyphenyl)methoxy]propanoylamino]methyl]oxane-4-carboxylic acid
CID 120541639
N-[2-(aminomethyl)cyclohexyl]-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119610739
1-[(2-tert-butyloxan-3-yl)methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111624399
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 94024614
2-[4-[2-[(3-methoxyphenyl)methoxy]propanoylamino]phenyl]-2-methylpropanoic acid
CID 119253837
(2S)-2-[(3-methoxyphenyl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94024629
2-[(3-methoxyphenyl)methoxy]-N-[2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 47036184
2-[(3-methoxyphenyl)methoxy]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598095
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 95335268
N-(3,5-dimethylphenyl)-2-[(3-methoxyphenyl)methoxy]propanamide
CID 46469470

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The IUPAC name of N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide (CID 56791697) is N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide.
What is the SMILES notation for N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The canonical SMILES for N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide is COc1cccc(COC(C)C(=O)NCC2CCOC2C(C)(C)C)c1.
What is the InChIKey of N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The InChIKey is XFMKXZAVMCINQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO4/c1-14(25-13-15-7-6-8-17(11-15)23-5)19(22)21-12-16-9-10-24-18(16)20(2,3)4/h6-8,11,14,16,18H,9-10,12-13H2,1-5H3,(H,21,22).
What are the key properties of N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide has a molecular weight of 349.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxolan-3-yl)methyl]-2-[(3-methoxyphenyl)methoxy]propanamide is sourced from PubChem (CID 56791697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).