1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea

C17H25N5O2 — CID 155951612

IUPAC1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea
SMILESCC(C)c1ccc(C(C)NC(=O)NCC(O)Cn2ccnn2)cc1
InChIInChI=1S/C17H25N5O2/c1-12(2)14-4-6-15(7-5-14)13(3)20-17(24)18-10-16(23)11-22-9-8-19-21-22/h4-9,12-13,16,23H,10-11H2,1-3H3,(H2,18,20,24)
InChIKeyQIYXXXPGMCWLKB-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.82
Rot. Bonds7

About 1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea

1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea (PubChem CID 155951612) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea
PubChem CID155951612
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea
SMILESCC(C)c1ccc(C(C)NC(=O)NCC(O)Cn2ccnn2)cc1
InChIInChI=1S/C17H25N5O2/c1-12(2)14-4-6-15(7-5-14)13(3)20-17(24)18-10-16(23)11-22-9-8-19-21-22/h4-9,12-13,16,23H,10-11H2,1-3H3,(H2,18,20,24)
InChIKeyQIYXXXPGMCWLKB-UHFFFAOYSA-N
XLogP1.82
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-hydroxy-3-(triazol-1-yl)propyl]-4-methylfuran-2-carboxamide
CID 146139999
1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 111426760
1-[1-(3-chlorophenyl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 110909987
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
(2S)-N-[(1R)-1-phenylethyl]-2-[4-(4-propylphenyl)phenyl]-3-(triazol-1-yl)propanamide
CID 169109374
(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
CID 120873593
1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide
CID 97060214
1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 110911346
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
2-methyl-N-[(2S)-3-methyl-1-(triazol-1-yl)butan-2-yl]propanamide
CID 176871295
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(1S)-1-(4-propan-2-ylphenyl)ethyl]urea
CID 124506381
2-[[1-(4-chlorophenyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65221297

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea?
The IUPAC name of 1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea (CID 155951612) is 1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea.
What is the SMILES notation for 1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea?
The canonical SMILES for 1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea is CC(C)c1ccc(C(C)NC(=O)NCC(O)Cn2ccnn2)cc1.
What is the InChIKey of 1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea?
The InChIKey is QIYXXXPGMCWLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)14-4-6-15(7-5-14)13(3)20-17(24)18-10-16(23)11-22-9-8-19-21-22/h4-9,12-13,16,23H,10-11H2,1-3H3,(H2,18,20,24).
What are the key properties of 1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea?
1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea has a molecular weight of 331.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(triazol-1-yl)propyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea is sourced from PubChem (CID 155951612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).