N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide

C19H27N3O3 — CID 146126778

IUPACN-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide
SMILESO=C(CCN1CCC2(CCOCC2)C1)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H27N3O3/c23-17(21-18(24)20-14-16-4-2-1-3-5-16)6-10-22-11-7-19(15-22)8-12-25-13-9-19/h1-5H,6-15H2,(H2,20,21,23,24)
InChIKeyKTHAUFREDWEFEC-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.90
Rot. Bonds5

About N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide

N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide (PubChem CID 146126778) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide
PubChem CID146126778
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide
SMILESO=C(CCN1CCC2(CCOCC2)C1)NC(=O)NCc1ccccc1
InChIInChI=1S/C19H27N3O3/c23-17(21-18(24)20-14-16-4-2-1-3-5-16)6-10-22-11-7-19(15-22)8-12-25-13-9-19/h1-5H,6-15H2,(H2,20,21,23,24)
InChIKeyKTHAUFREDWEFEC-UHFFFAOYSA-N
XLogP1.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46551381
N-(benzylcarbamoyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 24674437
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697
N-(benzylcarbamoyl)-2-morpholin-4-ium-4-ylacetamide
CID 2697515
1-benzyl-3-morpholin-4-ylurea
CID 107653208
6-(benzylcarbamoylamino)-6-oxohexanoic acid
CID 43447266
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
N-(benzylcarbamoyl)-3-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 55484732
3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 154794953
N-(benzylcarbamoyl)-3-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)propanamide
CID 55484731
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
N-(benzylcarbamoyl)-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 46551379

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide?
The IUPAC name of N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide (CID 146126778) is N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide is O=C(CCN1CCC2(CCOCC2)C1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide?
The InChIKey is KTHAUFREDWEFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-17(21-18(24)20-14-16-4-2-1-3-5-16)6-10-22-11-7-19(15-22)8-12-25-13-9-19/h1-5H,6-15H2,(H2,20,21,23,24).
What are the key properties of N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide?
N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide has a molecular weight of 345.44 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-3-(8-oxa-2-azaspiro[4.5]decan-2-yl)propanamide is sourced from PubChem (CID 146126778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).