N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C19H30N2O4 — CID 131690745

IUPACN-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCC1CC1)C1CCC2(CCN(C(=O)CC3(O)CCC3)CC2)O1
InChIInChI=1S/C19H30N2O4/c22-16(12-18(24)5-1-6-18)21-10-8-19(9-11-21)7-4-15(25-19)17(23)20-13-14-2-3-14/h14-15,24H,1-13H2,(H,20,23)
InChIKeyFQLDZLPTQUGNHP-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.36
Rot. Bonds5

About N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 131690745) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID131690745
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCC1CC1)C1CCC2(CCN(C(=O)CC3(O)CCC3)CC2)O1
InChIInChI=1S/C19H30N2O4/c22-16(12-18(24)5-1-6-18)21-10-8-19(9-11-21)7-4-15(25-19)17(23)20-13-14-2-3-14/h14-15,24H,1-13H2,(H,20,23)
InChIKeyFQLDZLPTQUGNHP-UHFFFAOYSA-N
XLogP1.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(cyclopropylmethyl)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383821
(2R)-N-(cyclopropylmethyl)-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383839
N-(cyclobutylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134079745
N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide
CID 111331904
N-(cyclopropylmethyl)-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076793
(2R)-N-(cyclopropylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383812
2-cyclohexyl-1-[4-[2-(1-hydroxycyclopentyl)acetyl]piperazin-1-yl]ethanone
CID 111537735
N-(cyclopropylmethyl)-8-(furan-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155850234
2-cyclopentyl-N-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]acetamide
CID 111538308
2-(1-hydroxycyclobutyl)-1-piperazin-1-ylethanone
CID 82505839
N-cyclobutyl-5-[2-(1-hydroxycyclobutyl)acetyl]-5-azaspiro[2.4]heptane-2-carboxamide
CID 131683019
[(2R)-8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383891

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 131690745) is N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is O=C(NCC1CC1)C1CCC2(CCN(C(=O)CC3(O)CCC3)CC2)O1.
What is the InChIKey of N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is FQLDZLPTQUGNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c22-16(12-18(24)5-1-6-18)21-10-8-19(9-11-21)7-4-15(25-19)17(23)20-13-14-2-3-14/h14-15,24H,1-13H2,(H,20,23).
What are the key properties of N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-8-[2-(1-hydroxycyclobutyl)acetyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 131690745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).