1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea

C12H19N3O2 — CID 91316949

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
SMILESCC(C)(C)ONC(=O)NCCc1ccccn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-15-11(16)14-9-7-10-6-4-5-8-13-10/h4-6,8H,7,9H2,1-3H3,(H2,14,15,16)
InChIKeyZNMVYVGRBHBUDP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.65
Rot. Bonds4

About 1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea

1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 91316949) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
PubChem CID91316949
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
SMILESCC(C)(C)ONC(=O)NCCc1ccccn1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-15-11(16)14-9-7-10-6-4-5-8-13-10/h4-6,8H,7,9H2,1-3H3,(H2,14,15,16)
InChIKeyZNMVYVGRBHBUDP-UHFFFAOYSA-N
XLogP1.65
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide
CID 115157427
ethyl 3,3-dimethyl-2-(2-pyridin-2-ylethylcarbamoyl)butanoate
CID 116537643
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea
CID 48544874
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 79804719
2-methyl-2-(2-pyridin-2-ylethylcarbamoylamino)pentanoic acid
CID 61183978
1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea
CID 60547411

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea (CID 91316949) is 1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea is CC(C)(C)ONC(=O)NCCc1ccccn1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is ZNMVYVGRBHBUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-15-11(16)14-9-7-10-6-4-5-8-13-10/h4-6,8H,7,9H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea?
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 237.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 91316949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).