1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea

C19H23N3O3 — CID 86842488

IUPAC1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea
SMILESCOCCOc1ccccc1NC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C19H23N3O3/c1-24-12-13-25-18-5-3-2-4-17(18)21-19(23)22(16-6-7-16)14-15-8-10-20-11-9-15/h2-5,8-11,16H,6-7,12-14H2,1H3,(H,21,23)
InChIKeyUGTXHLMDQBTOBK-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.30
Rot. Bonds8

About 1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea

1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea (PubChem CID 86842488) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea
PubChem CID86842488
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea
SMILESCOCCOc1ccccc1NC(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C19H23N3O3/c1-24-12-13-25-18-5-3-2-4-17(18)21-19(23)22(16-6-7-16)14-15-8-10-20-11-9-15/h2-5,8-11,16H,6-7,12-14H2,1H3,(H,21,23)
InChIKeyUGTXHLMDQBTOBK-UHFFFAOYSA-N
XLogP3.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-(2-methylsulfanylphenyl)-1-(pyridin-4-ylmethyl)urea
CID 86987117
1-cyclopropyl-3-(3,5-dimethoxyphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080116
1-cyclopentyl-3-(2-ethoxyphenyl)-1-(pyridin-4-ylmethyl)thiourea
CID 4120176
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
1-ethyl-3-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1-(pyridin-4-ylmethyl)urea
CID 97282057
methyl 2-[[cyclopropyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1196367
N-[2-(2-ethoxyethoxy)phenyl]pyridine-4-carboxamide
CID 17134093
1-cyclopropyl-3-(3-fluoro-4-methylphenyl)-1-(pyridin-4-ylmethyl)urea
CID 51080120
3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)urea
CID 24535898
N-[2-(2-phenoxyethoxy)phenyl]pyridine-4-carboxamide
CID 17130921
methyl 2-[[cyclopropyl-[(2-methoxyphenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 1196523

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea (CID 86842488) is 1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea is COCCOc1ccccc1NC(=O)N(Cc1ccncc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea?
The InChIKey is UGTXHLMDQBTOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-12-13-25-18-5-3-2-4-17(18)21-19(23)22(16-6-7-16)14-15-8-10-20-11-9-15/h2-5,8-11,16H,6-7,12-14H2,1H3,(H,21,23).
What are the key properties of 1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea?
1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea has a molecular weight of 341.41 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(2-methoxyethoxy)phenyl]-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 86842488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).