N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

C19H29N3O2 — CID 172894919

IUPACN-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C19H29N3O2/c1-18(2,3)15-6-4-5-7-16(15)21-17(23)22-12-13-24-19(14-22)8-10-20-11-9-19/h4-7,20H,8-14H2,1-3H3,(H,21,23)
InChIKeyYGPITEGCKDYSIU-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.97
Rot. Bonds1

About N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide

N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (PubChem CID 172894919) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
PubChem CID172894919
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)N1CCOC2(CCNCC2)C1
InChIInChI=1S/C19H29N3O2/c1-18(2,3)15-6-4-5-7-16(15)21-17(23)22-12-13-24-19(14-22)8-10-20-11-9-19/h4-7,20H,8-14H2,1-3H3,(H,21,23)
InChIKeyYGPITEGCKDYSIU-UHFFFAOYSA-N
XLogP2.97
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-N-[2-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 138381723
N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3790965
(2-chlorophenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 97449217
N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 124596231
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61202030
N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
CID 113103174
N-(2-tert-butylphenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropane-1-carboxamide
CID 108978517
N-[2-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 970571
(E)-1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)but-2-en-1-one
CID 165456799
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 97449218
N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 3780951
N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108990373

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide (CID 172894919) is N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is CC(C)(C)c1ccccc1NC(=O)N1CCOC2(CCNCC2)C1.
What is the InChIKey of N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
The InChIKey is YGPITEGCKDYSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-18(2,3)15-6-4-5-7-16(15)21-17(23)22-12-13-24-19(14-22)8-10-20-11-9-19/h4-7,20H,8-14H2,1-3H3,(H,21,23).
What are the key properties of N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide?
N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 172894919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).