N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

C18H23N3O3 — CID 91646674

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCOC3(CCC3)C2)c1)C1CC1
InChIInChI=1S/C18H23N3O3/c22-16(13-5-6-13)19-14-3-1-4-15(11-14)20-17(23)21-9-10-24-18(12-21)7-2-8-18/h1,3-4,11,13H,2,5-10,12H2,(H,19,22)(H,20,23)
InChIKeyCYGNNZBWJPMHFT-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.82
Rot. Bonds3

About N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide

N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (PubChem CID 91646674) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
PubChem CID91646674
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
SMILESO=C(Nc1cccc(NC(=O)N2CCOC3(CCC3)C2)c1)C1CC1
InChIInChI=1S/C18H23N3O3/c22-16(13-5-6-13)19-14-3-1-4-15(11-14)20-17(23)21-9-10-24-18(12-21)7-2-8-18/h1,3-4,11,13H,2,5-10,12H2,(H,19,22)(H,20,23)
InChIKeyCYGNNZBWJPMHFT-UHFFFAOYSA-N
XLogP2.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 74236074
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
CID 55819910
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 71915921
(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 99822435
N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 155596985
(3aS,6aR)-2-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122086285
N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 71801658
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
N-[3-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 55697273
N-[(S)-cyclobutyl(phenyl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 99619266
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide (CID 91646674) is N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is O=C(Nc1cccc(NC(=O)N2CCOC3(CCC3)C2)c1)C1CC1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
The InChIKey is CYGNNZBWJPMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16(13-5-6-13)19-14-3-1-4-15(11-14)20-17(23)21-9-10-24-18(12-21)7-2-8-18/h1,3-4,11,13H,2,5-10,12H2,(H,19,22)(H,20,23).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide is sourced from PubChem (CID 91646674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).