1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea

C43H60N10O3 — CID 160930426

IUPAC1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)NCCCc1nnc(C2CC2)n1-c1ccccc1.CC1CCCCC1NC(=O)NCCOc1nnc(C2CC2)n1-c1ccccc1
InChIInChI=1S/C22H31N5O.C21H29N5O2/c1-16-8-5-6-11-19(16)24-22(28)23-15-7-12-20-25-26-21(17-13-14-17)27(20)18-9-3-2-4-10-18;1-15-7-5-6-10-18(15)23-20(27)22-13-14-28-21-25-24-19(16-11-12-16)26(21)17-8-3-2-4-9-17/h2-4,9-10,16-17,19H,5-8,11-15H2,1H3,(H2,23,24,28);2-4,8-9,15-16,18H,5-7,10-14H2,1H3,(H2,22,23,27)
InChIKeySTEPJLDOCKERHP-UHFFFAOYSA-N
MW765.02 g/mol
LogP7.36
Rot. Bonds14

About 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea

1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea (PubChem CID 160930426) has the molecular formula C43H60N10O3 and a molecular weight of 765.02 g/mol. Its IUPAC name is 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea
PubChem CID160930426
Molecular FormulaC43H60N10O3
Molecular Weight765.02 g/mol
Exact Mass764.48
IUPAC Name1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)NCCCc1nnc(C2CC2)n1-c1ccccc1.CC1CCCCC1NC(=O)NCCOc1nnc(C2CC2)n1-c1ccccc1
InChIInChI=1S/C22H31N5O.C21H29N5O2/c1-16-8-5-6-11-19(16)24-22(28)23-15-7-12-20-25-26-21(17-13-14-17)27(20)18-9-3-2-4-10-18;1-15-7-5-6-10-18(15)23-20(27)22-13-14-28-21-25-24-19(16-11-12-16)26(21)17-8-3-2-4-9-17/h2-4,9-10,16-17,19H,5-8,11-15H2,1H3,(H2,23,24,28);2-4,8-9,15-16,18H,5-7,10-14H2,1H3,(H2,22,23,27)
InChIKeySTEPJLDOCKERHP-UHFFFAOYSA-N
XLogP7.36
TPSA152.91 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.02
LogP ≤ 57.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)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-cyclohexyl-3-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]urea
CID 155607964
1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)-3-oxopropyl]-3-(2-methylcyclohexyl)urea
CID 138706231
N-[(1S,2S)-2-methylcyclohexyl]-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40989390
1-(2-methoxyethyl)-3-(2-methylcyclohexyl)urea
CID 47133656
N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
CID 125145050
N-(2-methylcyclohexyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4566895
N-[2-[[(1R,2R)-2-methylcyclopentyl]carbamoylamino]ethyl]-2-phenylacetamide
CID 95339721
2-[(2-methylcyclohexyl)carbamoylamino]-N-(2-phenylethyl)acetamide
CID 134003762
2-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 3167279
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)propanamide
CID 46695531
N-[(1R,2R)-2-methylcyclohexyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 40633314
1-(3-hydroxypropyl)-3-(2-methylcyclopentyl)urea
CID 111104441

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea?
The IUPAC name of 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea (CID 160930426) is 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea.
What is the SMILES notation for 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea?
The canonical SMILES for 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea is CC1CCCCC1NC(=O)NCCCc1nnc(C2CC2)n1-c1ccccc1.CC1CCCCC1NC(=O)NCCOc1nnc(C2CC2)n1-c1ccccc1.
What is the InChIKey of 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea?
The InChIKey is STEPJLDOCKERHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O.C21H29N5O2/c1-16-8-5-6-11-19(16)24-22(28)23-15-7-12-20-25-26-21(17-13-14-17)27(20)18-9-3-2-4-10-18;1-15-7-5-6-10-18(15)23-20(27)22-13-14-28-21-25-24-19(16-11-12-16)26(21)17-8-3-2-4-9-17/h2-4,9-10,16-17,19H,5-8,11-15H2,1H3,(H2,23,24,28);2-4,8-9,15-16,18H,5-7,10-14H2,1H3,(H2,22,23,27).
What are the key properties of 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea?
1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea has a molecular weight of 765.02 g/mol, XLogP of 7.36, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)oxy]ethyl]-3-(2-methylcyclohexyl)urea;1-[3-(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)propyl]-3-(2-methylcyclohexyl)urea is sourced from PubChem (CID 160930426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).