2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide

C17H22ClN3O4 — CID 135108092

IUPAC2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide
SMILESCN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccc(OCC(N)=O)c(Cl)c1)C2
InChIInChI=1S/C17H22ClN3O4/c1-20-13-7-21(6-12(17(20)23)8-24-9-13)5-11-2-3-15(14(18)4-11)25-10-16(19)22/h2-4,12-13H,5-10H2,1H3,(H2,19,22)/t12-,13+/m1/s1
InChIKeyLTQNQKRXTMQHCM-OLZOCXBDSA-N
MW367.83 g/mol
LogP0.49
Rot. Bonds5

About 2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide

2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide (PubChem CID 135108092) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is 2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide
PubChem CID135108092
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide
SMILESCN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccc(OCC(N)=O)c(Cl)c1)C2
InChIInChI=1S/C17H22ClN3O4/c1-20-13-7-21(6-12(17(20)23)8-24-9-13)5-11-2-3-15(14(18)4-11)25-10-16(19)22/h2-4,12-13H,5-10H2,1H3,(H2,19,22)/t12-,13+/m1/s1
InChIKeyLTQNQKRXTMQHCM-OLZOCXBDSA-N
XLogP0.49
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide with MolForge

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Related Compounds

2-[2-chloro-4-[(3-piperidin-1-ylazetidin-1-yl)methyl]phenoxy]acetamide
CID 77097712
2-[4-[[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methyl]-2-chlorophenoxy]acetamide
CID 135099507
(1S,5R)-7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135091796
2-[2-chloro-4-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]phenoxy]acetamide
CID 56889989
formic acid;(1S,5R)-7-(furan-3-ylmethyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 154916899
(1S,5R)-7-[(3,5-dimethoxyphenyl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one;formic acid
CID 154916671
2-[2-chloro-4-[[(2R)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]methyl]phenoxy]acetamide
CID 99938808
2-[2-chloro-4-[[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]acetamide
CID 131902059
(1S,5R)-7-(5-chlorofuran-2-carbonyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155913735
(2R,6R)-4-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide
CID 97151706
(1S,5R)-7-[(2,6-difluoro-4-methoxyphenyl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135110081
2-[2-methoxy-4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenoxy]acetamide
CID 77084796

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide (CID 135108092) is 2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide is CN1C(=O)[C@H]2COC[C@@H]1CN(Cc1ccc(OCC(N)=O)c(Cl)c1)C2.
What is the InChIKey of 2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide?
The InChIKey is LTQNQKRXTMQHCM-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H22ClN3O4/c1-20-13-7-21(6-12(17(20)23)8-24-9-13)5-11-2-3-15(14(18)4-11)25-10-16(19)22/h2-4,12-13H,5-10H2,1H3,(H2,19,22)/t12-,13+/m1/s1.
What are the key properties of 2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide?
2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide has a molecular weight of 367.83 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 135108092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).