1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea

C20H29N3O3 — CID 155873855

IUPAC1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea
SMILESCC(C)Oc1cccc(C(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)c1
InChIInChI=1S/C20H29N3O3/c1-14(2)26-17-7-5-6-15(10-17)18(24)23-9-8-20(13-23)11-16(12-20)21-19(25)22(3)4/h5-7,10,14,16H,8-9,11-13H2,1-4H3,(H,21,25)
InChIKeyRHMUDSKUNCCCTO-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.74
Rot. Bonds4

About 1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea

1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea (PubChem CID 155873855) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea
PubChem CID155873855
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea
SMILESCC(C)Oc1cccc(C(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)c1
InChIInChI=1S/C20H29N3O3/c1-14(2)26-17-7-5-6-15(10-17)18(24)23-9-8-20(13-23)11-16(12-20)21-19(25)22(3)4/h5-7,10,14,16H,8-9,11-13H2,1-4H3,(H,21,25)
InChIKeyRHMUDSKUNCCCTO-UHFFFAOYSA-N
XLogP2.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea with MolForge

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Related Compounds

(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 131691578
(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 81103143
N-(2-methoxyethyl)-1'-(3-propan-2-yloxybenzoyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide
CID 131696627
piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
1,1-dimethyl-3-[7-(1-methyl-6-oxopyridine-2-carbonyl)-7-azaspiro[3.5]nonan-2-yl]urea
CID 131687128
[4-(ethylamino)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62919962
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
1-[(4-chlorophenyl)methyl]-3-[6-(3-methylbenzoyl)-6-azaspiro[3.4]octan-2-yl]urea
CID 166834835
[4-(chloromethyl)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 63397763
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972
[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 71604148

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea (CID 155873855) is 1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea is CC(C)Oc1cccc(C(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)c1.
What is the InChIKey of 1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea?
The InChIKey is RHMUDSKUNCCCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)26-17-7-5-6-15(10-17)18(24)23-9-8-20(13-23)11-16(12-20)21-19(25)22(3)4/h5-7,10,14,16H,8-9,11-13H2,1-4H3,(H,21,25).
What are the key properties of 1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea?
1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea has a molecular weight of 359.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea is sourced from PubChem (CID 155873855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).