1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea

C17H27N3O3 — CID 91777188

IUPAC1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea
SMILESCC(C)N(C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1)C(C)C
InChIInChI=1S/C17H27N3O3/c1-12(2)20(13(3)4)17(21)19-14-11-22-10-8-15(14)23-16-7-5-6-9-18-16/h5-7,9,12-15H,8,10-11H2,1-4H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyPSLJFNXGMOLGIS-HUUCEWRRSA-N
MW321.42 g/mol
LogP2.45
Rot. Bonds5

About 1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea

1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea (PubChem CID 91777188) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea.

Molecular Properties

Compound Name1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea
PubChem CID91777188
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea
SMILESCC(C)N(C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1)C(C)C
InChIInChI=1S/C17H27N3O3/c1-12(2)20(13(3)4)17(21)19-14-11-22-10-8-15(14)23-16-7-5-6-9-18-16/h5-7,9,12-15H,8,10-11H2,1-4H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyPSLJFNXGMOLGIS-HUUCEWRRSA-N
XLogP2.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

2-propan-2-ylsulfonyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91766386
3-(methanesulfonamido)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]propanamide
CID 91792493
1-phenyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]cyclopropane-1-carboxamide
CID 91795536
N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]-1H-pyrazole-4-carboxamide
CID 91773229
3-amino-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91764238
N-[2-oxo-2-[(4-pyridin-2-yloxyoxan-3-yl)amino]ethyl]benzamide
CID 156608743
2-phenylmethoxy-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91761107
2-(dimethylamino)-4-methyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]pyrimidine-5-carboxamide
CID 91791524
2-methylsulfanyl-N-(4-pyridin-2-yloxyoxan-3-yl)-1,3-thiazole-4-carboxamide
CID 156608294
5-(methoxymethyl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiophene-2-carboxamide
CID 91798306
2-(5-acetylthiophen-3-yl)-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]acetamide
CID 91783421
4-propyl-N-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]thiadiazole-5-carboxamide
CID 91786651

Frequently Asked Questions

What is the IUPAC name of 1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea?
The IUPAC name of 1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea (CID 91777188) is 1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea.
What is the SMILES notation for 1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea?
The canonical SMILES for 1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea is CC(C)N(C(=O)N[C@@H]1COCC[C@H]1Oc1ccccn1)C(C)C.
What is the InChIKey of 1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea?
The InChIKey is PSLJFNXGMOLGIS-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-12(2)20(13(3)4)17(21)19-14-11-22-10-8-15(14)23-16-7-5-6-9-18-16/h5-7,9,12-15H,8,10-11H2,1-4H3,(H,19,21)/t14-,15-/m1/s1.
What are the key properties of 1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea?
1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea has a molecular weight of 321.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(propan-2-yl)-3-[(3R,4R)-4-pyridin-2-yloxyoxan-3-yl]urea is sourced from PubChem (CID 91777188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).