N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide

C18H22ClN3O4 — CID 131921886

IUPACN-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C18H22ClN3O4/c1-3-15(23)20-14-9-12(19)5-6-13(14)16(24)22-8-4-7-18(11-22)10-21(2)17(25)26-18/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,23)
InChIKeyREWZTKPZCQKLLK-UHFFFAOYSA-N
MW379.84 g/mol
LogP2.75
Rot. Bonds3

About N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide

N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide (PubChem CID 131921886) has the molecular formula C18H22ClN3O4 and a molecular weight of 379.84 g/mol. Its IUPAC name is N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide
PubChem CID131921886
Molecular FormulaC18H22ClN3O4
Molecular Weight379.84 g/mol
Exact Mass379.13
IUPAC NameN-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide
SMILESCCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC2(CN(C)C(=O)O2)C1
InChIInChI=1S/C18H22ClN3O4/c1-3-15(23)20-14-9-12(19)5-6-13(14)16(24)22-8-4-7-18(11-22)10-21(2)17(25)26-18/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,23)
InChIKeyREWZTKPZCQKLLK-UHFFFAOYSA-N
XLogP2.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 118768284
(5S)-9-(5-chlorothiophene-2-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99981305
(5R)-9-(4-methoxy-2-methylbenzoyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95723972
(5R)-3-methyl-9-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinoline-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 126444687
N-[5-chloro-2-(5-methyl-6-oxo-2,5,7-triazaspiro[3.4]octane-2-carbonyl)phenyl]propanamide
CID 146044642
9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56907002
N-(3-acetamido-4-fluorophenyl)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 118773136
(5R)-3-methyl-2-oxo-N-(3,4,5-trifluorophenyl)-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 125168497
(5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95716535
(5R)-3-methyl-9-(4-pyrrolidin-1-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99976442
N-[5-chloro-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 131913533
N-[5-chloro-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidine-1-carbonyl]phenyl]propanamide
CID 131910409

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide?
The IUPAC name of N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide (CID 131921886) is N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide?
The canonical SMILES for N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide is CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC2(CN(C)C(=O)O2)C1.
What is the InChIKey of N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide?
The InChIKey is REWZTKPZCQKLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4/c1-3-15(23)20-14-9-12(19)5-6-13(14)16(24)22-8-4-7-18(11-22)10-21(2)17(25)26-18/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide?
N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide has a molecular weight of 379.84 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carbonyl)phenyl]propanamide is sourced from PubChem (CID 131921886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).