1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea

C21H27N3O3 — CID 38282104

IUPAC1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
SMILESCc1cccc(OCCNC(=O)NCc2cccnc2OC2CCCC2)c1
InChIInChI=1S/C21H27N3O3/c1-16-6-4-10-19(14-16)26-13-12-23-21(25)24-15-17-7-5-11-22-20(17)27-18-8-2-3-9-18/h4-7,10-11,14,18H,2-3,8-9,12-13,15H2,1H3,(H2,23,24,25)
InChIKeyIAHVEBOZJNUMKX-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.59
Rot. Bonds8

About 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea

1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea (PubChem CID 38282104) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
PubChem CID38282104
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
SMILESCc1cccc(OCCNC(=O)NCc2cccnc2OC2CCCC2)c1
InChIInChI=1S/C21H27N3O3/c1-16-6-4-10-19(14-16)26-13-12-23-21(25)24-15-17-7-5-11-22-20(17)27-18-8-2-3-9-18/h4-7,10-11,14,18H,2-3,8-9,12-13,15H2,1H3,(H2,23,24,25)
InChIKeyIAHVEBOZJNUMKX-UHFFFAOYSA-N
XLogP3.59
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,4-dimethylphenyl)propanamide
CID 55659744
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2,3-dimethylbenzamide
CID 47029217
3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
CID 46434206
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[4-(dimethylamino)-2-methylphenyl]urea
CID 55704797
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55659774
4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 55792742
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-indol-1-ylpropyl)urea
CID 55684226
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 38156912

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea?
The IUPAC name of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea (CID 38282104) is 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea is Cc1cccc(OCCNC(=O)NCc2cccnc2OC2CCCC2)c1.
What is the InChIKey of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea?
The InChIKey is IAHVEBOZJNUMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-6-4-10-19(14-16)26-13-12-23-21(25)24-15-17-7-5-11-22-20(17)27-18-8-2-3-9-18/h4-7,10-11,14,18H,2-3,8-9,12-13,15H2,1H3,(H2,23,24,25).
What are the key properties of 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea?
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea has a molecular weight of 369.47 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea is sourced from PubChem (CID 38282104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).