1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea

C19H25N3O2 — CID 42891466

IUPAC1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea
SMILESCCOc1ncccc1CNC(=O)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C19H25N3O2/c1-4-17(15-10-8-14(3)9-11-15)22-19(23)21-13-16-7-6-12-20-18(16)24-5-2/h6-12,17H,4-5,13H2,1-3H3,(H2,21,22,23)
InChIKeyLUVFKJKPTZGGAY-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.74
Rot. Bonds7

About 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea

1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea (PubChem CID 42891466) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea
PubChem CID42891466
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea
SMILESCCOc1ncccc1CNC(=O)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C19H25N3O2/c1-4-17(15-10-8-14(3)9-11-15)22-19(23)21-13-16-7-6-12-20-18(16)24-5-2/h6-12,17H,4-5,13H2,1-3H3,(H2,21,22,23)
InChIKeyLUVFKJKPTZGGAY-UHFFFAOYSA-N
XLogP3.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxy-3-pyridinyl)methyl]-3-pentan-3-ylurea
CID 47160556
1-[1-(2-bromophenyl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006420
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 134006399
N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide
CID 51929652
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 51082871
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
CID 47159517
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 51082870
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 134006403
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbutanamide
CID 97151638
2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 55774550
N-[(2-ethoxy-3-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 35389857

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea?
The IUPAC name of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea (CID 42891466) is 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea.
What is the SMILES notation for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea?
The canonical SMILES for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea is CCOc1ncccc1CNC(=O)NC(CC)c1ccc(C)cc1.
What is the InChIKey of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea?
The InChIKey is LUVFKJKPTZGGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-17(15-10-8-14(3)9-11-15)22-19(23)21-13-16-7-6-12-20-18(16)24-5-2/h6-12,17H,4-5,13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea?
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea has a molecular weight of 327.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea is sourced from PubChem (CID 42891466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).