[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea

C19H23ClN2O3 — CID 122497355

IUPAC[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea
SMILESCCCc1ccc(Oc2ccc(OC[C@H](C)NC(N)=O)cc2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O3/c1-3-4-14-5-10-18(17(20)11-14)25-16-8-6-15(7-9-16)24-12-13(2)22-19(21)23/h5-11,13H,3-4,12H2,1-2H3,(H3,21,22,23)/t13-/m0/s1
InChIKeyDJOFGYJCQPAMFH-ZDUSSCGKSA-N
MW362.86 g/mol
LogP4.52
Rot. Bonds8

About [(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea

[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea (PubChem CID 122497355) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is [(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea
PubChem CID122497355
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea
SMILESCCCc1ccc(Oc2ccc(OC[C@H](C)NC(N)=O)cc2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O3/c1-3-4-14-5-10-18(17(20)11-14)25-16-8-6-15(7-9-16)24-12-13(2)22-19(21)23/h5-11,13H,3-4,12H2,1-2H3,(H3,21,22,23)/t13-/m0/s1
InChIKeyDJOFGYJCQPAMFH-ZDUSSCGKSA-N
XLogP4.52
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea?
The IUPAC name of [(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea (CID 122497355) is [(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea.
What is the SMILES notation for [(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea?
The canonical SMILES for [(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea is CCCc1ccc(Oc2ccc(OC[C@H](C)NC(N)=O)cc2)c(Cl)c1.
What is the InChIKey of [(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea?
The InChIKey is DJOFGYJCQPAMFH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-3-4-14-5-10-18(17(20)11-14)25-16-8-6-15(7-9-16)24-12-13(2)22-19(21)23/h5-11,13H,3-4,12H2,1-2H3,(H3,21,22,23)/t13-/m0/s1.
What are the key properties of [(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea?
[(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea has a molecular weight of 362.86 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(2-chloro-4-propylphenoxy)phenoxy]propan-2-yl]urea is sourced from PubChem (CID 122497355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).