N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

C18H27N3O3 — CID 46990537

IUPACN-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCC(C)Oc1ccc(CN(CC)Cc2noc(C)n2)cc1OC
InChIInChI=1S/C18H27N3O3/c1-6-13(3)23-16-9-8-15(10-17(16)22-5)11-21(7-2)12-18-19-14(4)24-20-18/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyAUENMRRFKXHBFT-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.59
Rot. Bonds9

About N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 46990537) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID46990537
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCCC(C)Oc1ccc(CN(CC)Cc2noc(C)n2)cc1OC
InChIInChI=1S/C18H27N3O3/c1-6-13(3)23-16-9-8-15(10-17(16)22-5)11-21(7-2)12-18-19-14(4)24-20-18/h8-10,13H,6-7,11-12H2,1-5H3
InChIKeyAUENMRRFKXHBFT-UHFFFAOYSA-N
XLogP3.59
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 134001018
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methylsulfanylphenyl)methyl]ethanamine
CID 74238053
(1R)-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78931097
[2-ethoxy-5-[[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]phenyl]methanol
CID 46985013
N-ethyl-1-[3-methoxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 60882299
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 55541755
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 54943422
1-(4-butan-2-yloxy-3-methoxyphenyl)-N-(furan-2-ylmethyl)methanamine
CID 54849914
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 47014060
(2S)-2-[2-methoxy-4-[[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]phenoxy]propanoic acid
CID 99945626
(2R)-N-ethyl-1-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 94424318

Frequently Asked Questions

What is the IUPAC name of N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 46990537) is N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is CCC(C)Oc1ccc(CN(CC)Cc2noc(C)n2)cc1OC.
What is the InChIKey of N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is AUENMRRFKXHBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-6-13(3)23-16-9-8-15(10-17(16)22-5)11-21(7-2)12-18-19-14(4)24-20-18/h8-10,13H,6-7,11-12H2,1-5H3.
What are the key properties of N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 333.43 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butan-2-yloxy-3-methoxyphenyl)methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 46990537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).