1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea

C25H29N3O3 — CID 68534808

IUPAC1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(C)NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C25H29N3O3/c1-17(18-10-8-11-19(16-18)30-5)27-24(29)28-21-13-9-15-26-23(21)31-22-14-7-6-12-20(22)25(2,3)4/h6-17H,1-5H3,(H2,27,28,29)
InChIKeyGGFQQZUYAHOAFF-UHFFFAOYSA-N
MW419.53 g/mol
LogP6.06
Rot. Bonds6

About 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea

1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea (PubChem CID 68534808) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea
PubChem CID68534808
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea
SMILESCOc1cccc(C(C)NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C25H29N3O3/c1-17(18-10-8-11-19(16-18)30-5)27-24(29)28-21-13-9-15-26-23(21)31-22-14-7-6-12-20(22)25(2,3)4/h6-17H,1-5H3,(H2,27,28,29)
InChIKeyGGFQQZUYAHOAFF-UHFFFAOYSA-N
XLogP6.06
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea
CID 68530343
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 68533741
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
CID 68533651
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68533846
1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68528210
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[3-(naphthalen-2-ylmethoxy)phenyl]urea
CID 68531646
1-(4-bromo-2-fluorophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68533805
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 67026943
1-[1-(4-tert-butylphenyl)ethyl]-3-(3-methoxyphenyl)urea
CID 133204286
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]urea
CID 87486477
1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116768
1-[4-(4-aminobutoxy)phenyl]-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68533711

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea (CID 68534808) is 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea is COc1cccc(C(C)NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c1.
What is the InChIKey of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea?
The InChIKey is GGFQQZUYAHOAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17(18-10-8-11-19(16-18)30-5)27-24(29)28-21-13-9-15-26-23(21)31-22-14-7-6-12-20(22)25(2,3)4/h6-17H,1-5H3,(H2,27,28,29).
What are the key properties of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea?
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea has a molecular weight of 419.53 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 68534808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).