1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea

C19H25N3O3 — CID 112836013

IUPAC1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea
SMILESCCOCc1ccc(CNC(=O)Nc2cccnc2OC(C)C)cc1
InChIInChI=1S/C19H25N3O3/c1-4-24-13-16-9-7-15(8-10-16)12-21-19(23)22-17-6-5-11-20-18(17)25-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyHIJHQHUIMSDRAK-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.73
Rot. Bonds8

About 1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea

1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea (PubChem CID 112836013) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea
PubChem CID112836013
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea
SMILESCCOCc1ccc(CNC(=O)Nc2cccnc2OC(C)C)cc1
InChIInChI=1S/C19H25N3O3/c1-4-24-13-16-9-7-15(8-10-16)12-21-19(23)22-17-6-5-11-20-18(17)25-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyHIJHQHUIMSDRAK-UHFFFAOYSA-N
XLogP3.73
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propan-2-yloxy-3-pyridinyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 112837785
1-(3-methylbutyl)-3-(2-propan-2-yloxy-3-pyridinyl)urea
CID 112831617
1-(2-propan-2-yloxy-3-pyridinyl)-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]urea
CID 112835406
2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524
2-bromo-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 62855618
2-chloro-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 61379626
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490
6-amino-2-methyl-N-(2-propan-2-yloxy-3-pyridinyl)heptanamide
CID 65291888
2-(aminomethyl)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 65229294
(2S)-2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379065
4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)amino]butanoic acid
CID 61379431
3-(ethylamino)-N-(2-propan-2-yloxy-3-pyridinyl)propanamide
CID 62834244

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea?
The IUPAC name of 1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea (CID 112836013) is 1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea?
The canonical SMILES for 1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea is CCOCc1ccc(CNC(=O)Nc2cccnc2OC(C)C)cc1.
What is the InChIKey of 1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea?
The InChIKey is HIJHQHUIMSDRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-24-13-16-9-7-15(8-10-16)12-21-19(23)22-17-6-5-11-20-18(17)25-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea?
1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea has a molecular weight of 343.43 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethoxymethyl)phenyl]methyl]-3-(2-propan-2-yloxy-3-pyridinyl)urea is sourced from PubChem (CID 112836013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).