1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol

C20H34N2O4 — CID 72916690

IUPAC1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
SMILESCCN(CC)CC(O)COc1cc(CN2CCCOCC2)ccc1OC
InChIInChI=1S/C20H34N2O4/c1-4-21(5-2)15-18(23)16-26-20-13-17(7-8-19(20)24-3)14-22-9-6-11-25-12-10-22/h7-8,13,18,23H,4-6,9-12,14-16H2,1-3H3
InChIKeyJPQVFSNDKRMQHB-UHFFFAOYSA-N
MW366.50 g/mol
LogP2.00
Rot. Bonds10

About 1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol

1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol (PubChem CID 72916690) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is 1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
PubChem CID72916690
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Name1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
SMILESCCN(CC)CC(O)COc1cc(CN2CCCOCC2)ccc1OC
InChIInChI=1S/C20H34N2O4/c1-4-21(5-2)15-18(23)16-26-20-13-17(7-8-19(20)24-3)14-22-9-6-11-25-12-10-22/h7-8,13,18,23H,4-6,9-12,14-16H2,1-3H3
InChIKeyJPQVFSNDKRMQHB-UHFFFAOYSA-N
XLogP2.00
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(diethylamino)-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propan-2-ol
CID 45242296
(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97269962
1-(diethylamino)-3-[2-methoxy-5-(1-oxa-7-azaspiro[3.5]nonan-7-ylmethyl)phenoxy]propan-2-ol
CID 72877531
1-(diethylamino)-3-[2-methoxy-5-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45240353
(2S)-1-(diethylamino)-3-[2-methoxy-5-[(4-methoxypiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 42376551
4-[[3-[3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperazine-1-carboxamide
CID 72874731
4-[[3-[(2S)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperazine-1-carboxamide
CID 97274818
1-[4-[[4-[3-(diethylamino)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 45242539
1-[[3-[(2R)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperidine-4-carbonitrile
CID 97276288
(2S)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97284756
1-[[3-[(2S)-3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]-1,4-diazepan-5-one
CID 97274913
1-[[4-[3-(diethylamino)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperidine-4-carbonitrile
CID 72876308

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol (CID 72916690) is 1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol is CCN(CC)CC(O)COc1cc(CN2CCCOCC2)ccc1OC.
What is the InChIKey of 1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol?
The InChIKey is JPQVFSNDKRMQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-4-21(5-2)15-18(23)16-26-20-13-17(7-8-19(20)24-3)14-22-9-6-11-25-12-10-22/h7-8,13,18,23H,4-6,9-12,14-16H2,1-3H3.
What are the key properties of 1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol?
1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol has a molecular weight of 366.50 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 72916690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).