N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide

C23H31N3O4 — CID 172661986

IUPACN-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide
SMILESCc1ccc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)cc1NC(=O)C1CCCC1
InChIInChI=1S/C23H31N3O4/c1-16-7-8-18(13-19(16)24-21(28)17-5-3-4-6-17)22(29)26-11-9-23(10-12-26)15-25(2)20(27)14-30-23/h7-8,13,17H,3-6,9-12,14-15H2,1-2H3,(H,24,28)
InChIKeyDNCXWGYOUANVTG-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.59
Rot. Bonds3

About N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide

N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide (PubChem CID 172661986) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide
PubChem CID172661986
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC NameN-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide
SMILESCc1ccc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)cc1NC(=O)C1CCCC1
InChIInChI=1S/C23H31N3O4/c1-16-7-8-18(13-19(16)24-21(28)17-5-3-4-6-17)22(29)26-11-9-23(10-12-26)15-25(2)20(27)14-30-23/h7-8,13,17H,3-6,9-12,14-15H2,1-2H3,(H,24,28)
InChIKeyDNCXWGYOUANVTG-UHFFFAOYSA-N
XLogP2.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide
CID 175640927
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 119073758
N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide
CID 172672339
N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 119310578
4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 77089326
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118785738
4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 170507431
4-methyl-9-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 77088345
methyl 3-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-4-methylbenzoate
CID 35676238
(2S,4S)-2-methyl-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120634574
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide
CID 119286388

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide (CID 172661986) is N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide is Cc1ccc(C(=O)N2CCC3(CC2)CN(C)C(=O)CO3)cc1NC(=O)C1CCCC1.
What is the InChIKey of N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide?
The InChIKey is DNCXWGYOUANVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-16-7-8-18(13-19(16)24-21(28)17-5-3-4-6-17)22(29)26-11-9-23(10-12-26)15-25(2)20(27)14-30-23/h7-8,13,17H,3-6,9-12,14-15H2,1-2H3,(H,24,28).
What are the key properties of N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide?
N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide has a molecular weight of 413.52 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 172661986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).