1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea

C14H23N3O2 — CID 112831617

IUPAC1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
SMILESCC(C)CCNC(=O)Nc1cccnc1OC(C)C
InChIInChI=1S/C14H23N3O2/c1-10(2)7-9-16-14(18)17-12-6-5-8-15-13(12)19-11(3)4/h5-6,8,10-11H,7,9H2,1-4H3,(H2,16,17,18)
InChIKeyFOHTYGHLNLPXIQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.04
Rot. Bonds6

About 1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea

1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea (PubChem CID 112831617) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
PubChem CID112831617
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
SMILESCC(C)CCNC(=O)Nc1cccnc1OC(C)C
InChIInChI=1S/C14H23N3O2/c1-10(2)7-9-16-14(18)17-12-6-5-8-15-13(12)19-11(3)4/h5-6,8,10-11H,7,9H2,1-4H3,(H2,16,17,18)
InChIKeyFOHTYGHLNLPXIQ-UHFFFAOYSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclohexyloxypropyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112834635
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626
3-(ethylamino)-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 62834244
1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112836013
1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 112837785
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea?
The IUPAC name of 1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea (CID 112831617) is 1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea?
The canonical SMILES for 1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea is CC(C)CCNC(=O)Nc1cccnc1OC(C)C.
What is the InChIKey of 1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea?
The InChIKey is FOHTYGHLNLPXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)7-9-16-14(18)17-12-6-5-8-15-13(12)19-11(3)4/h5-6,8,10-11H,7,9H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea?
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea has a molecular weight of 265.36 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea is sourced from PubChem (CID 112831617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).