2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C18H25N3O4 — CID 131693362

IUPAC2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)NC(=O)C1COC2(CN(C(=O)c3cccc(O)c3)C2)CN1C
InChIInChI=1S/C18H25N3O4/c1-12(2)19-16(23)15-8-25-18(9-20(15)3)10-21(11-18)17(24)13-5-4-6-14(22)7-13/h4-7,12,15,22H,8-11H2,1-3H3,(H,19,23)
InChIKeyLFIUYQWPBDAPPS-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.44
Rot. Bonds3

About 2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 131693362) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID131693362
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
SMILESCC(C)NC(=O)C1COC2(CN(C(=O)c3cccc(O)c3)C2)CN1C
InChIInChI=1S/C18H25N3O4/c1-12(2)19-16(23)15-8-25-18(9-20(15)3)10-21(11-18)17(24)13-5-4-6-14(22)7-13/h4-7,12,15,22H,8-11H2,1-3H3,(H,19,23)
InChIKeyLFIUYQWPBDAPPS-UHFFFAOYSA-N
XLogP0.44
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxybenzoyl)-8-methyl-N-(oxan-4-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693726
[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
CID 97488632
(3R)-4-benzoyl-8-(3-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137358
(3R)-4-benzoyl-8-(3-chlorobenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137336
1-[[2-(3-hydroxybenzoyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrolidin-2-one
CID 131692664
N,8-dimethyl-2-(1H-pyrazole-5-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131693922
N,8-dimethyl-2-(2-methylfuran-3-carbonyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131651832
4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide
CID 95156330
(3R)-4-(4-fluorobenzoyl)-8-(3-methoxybenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136825
(3S)-8-(3-chlorobenzoyl)-4-(2-methylbenzoyl)-N-propan-2-yl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137873
[8-(cyclopropylmethyl)-2-(3-hydroxybenzoyl)-5-oxa-2,8-diazaspiro[3.5]nonan-7-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155868816
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of 2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 131693362) is 2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for 2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for 2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CC(C)NC(=O)C1COC2(CN(C(=O)c3cccc(O)c3)C2)CN1C.
What is the InChIKey of 2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is LFIUYQWPBDAPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12(2)19-16(23)15-8-25-18(9-20(15)3)10-21(11-18)17(24)13-5-4-6-14(22)7-13/h4-7,12,15,22H,8-11H2,1-3H3,(H,19,23).
What are the key properties of 2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?
2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybenzoyl)-8-methyl-N-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 131693362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).