1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea

C17H21N3O2 — CID 53185078

IUPAC1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea
SMILESCCCNC(=O)N(C)Cc1cccnc1Oc1ccccc1
InChIInChI=1S/C17H21N3O2/c1-3-11-19-17(21)20(2)13-14-8-7-12-18-16(14)22-15-9-5-4-6-10-15/h4-10,12H,3,11,13H2,1-2H3,(H,19,21)
InChIKeyWPNMGWHNRXDOLB-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.43
Rot. Bonds6

About 1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea

1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea (PubChem CID 53185078) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea
PubChem CID53185078
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea
SMILESCCCNC(=O)N(C)Cc1cccnc1Oc1ccccc1
InChIInChI=1S/C17H21N3O2/c1-3-11-19-17(21)20(2)13-14-8-7-12-18-16(14)22-15-9-5-4-6-10-15/h4-10,12H,3,11,13H2,1-2H3,(H,19,21)
InChIKeyWPNMGWHNRXDOLB-UHFFFAOYSA-N
XLogP3.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-3-propylurea
CID 53185034
3-(3-methoxypropyl)-1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]urea
CID 53185077
N-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 53185056
1-(2-phenoxy-3-pyridinyl)-3-propylurea
CID 47041336
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
1-methyl-3-propyl-1-pyridin-2-ylurea
CID 116653987
N-methyl-1-(2-phenoxy-3-pyridinyl)methanamine
CID 53185088
3-tert-butyl-1-[(2-ethoxy-3-pyridinyl)methyl]-1-methylurea
CID 53184952
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-1-methylurea
CID 53184961
1-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-ylmethyl)-1-methylurea
CID 53184960
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea?
The IUPAC name of 1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea (CID 53185078) is 1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea.
What is the SMILES notation for 1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea?
The canonical SMILES for 1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea is CCCNC(=O)N(C)Cc1cccnc1Oc1ccccc1.
What is the InChIKey of 1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea?
The InChIKey is WPNMGWHNRXDOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-11-19-17(21)20(2)13-14-8-7-12-18-16(14)22-15-9-5-4-6-10-15/h4-10,12H,3,11,13H2,1-2H3,(H,19,21).
What are the key properties of 1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea?
1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea has a molecular weight of 299.37 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-phenoxy-3-pyridinyl)methyl]-3-propylurea is sourced from PubChem (CID 53185078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).