1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea

C22H23N3O2 — CID 11501398

IUPAC1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-16(2)18-11-6-7-12-19(18)24-22(26)25-21-20(13-8-14-23-21)27-15-17-9-4-3-5-10-17/h3-14,16H,15H2,1-2H3,(H2,23,24,25,26)
InChIKeyUQSHJCGSQYMYMW-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.43
Rot. Bonds6

About 1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea

1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea (PubChem CID 11501398) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
PubChem CID11501398
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C22H23N3O2/c1-16(2)18-11-6-7-12-19(18)24-22(26)25-21-20(13-8-14-23-21)27-15-17-9-4-3-5-10-17/h3-14,16H,15H2,1-2H3,(H2,23,24,25,26)
InChIKeyUQSHJCGSQYMYMW-UHFFFAOYSA-N
XLogP5.43
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
CID 11602993
2-phenoxy-N-(3-phenylmethoxy-2-pyridinyl)propanamide
CID 73441719
1-(3-phenylmethoxy-2-pyridinyl)-3-propan-2-ylthiourea
CID 142715572
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17093436
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate
CID 139362692
N'-(3-methyl-2-pyridinyl)-N-(2-propan-2-ylphenyl)oxamide
CID 108500634
1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea
CID 11674430
1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
CID 72545413
3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 139945086
2-(2-methoxyphenoxy)-N-(2-phenylmethoxyphenyl)propanamide
CID 17093523

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea (CID 11501398) is 1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1NC(=O)Nc1ncccc1OCc1ccccc1.
What is the InChIKey of 1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
The InChIKey is UQSHJCGSQYMYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(2)18-11-6-7-12-19(18)24-22(26)25-21-20(13-8-14-23-21)27-15-17-9-4-3-5-10-17/h3-14,16H,15H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea?
1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea has a molecular weight of 361.45 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 11501398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).