1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea

C15H19N3O3 — CID 94798536

IUPAC1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
SMILESN#Cc1ccc(NC(=O)NC[C@H](O)COCC2CC2)cc1
InChIInChI=1S/C15H19N3O3/c16-7-11-3-5-13(6-4-11)18-15(20)17-8-14(19)10-21-9-12-1-2-12/h3-6,12,14,19H,1-2,8-10H2,(H2,17,18,20)/t14-/m0/s1
InChIKeyWDZNVJGEWXFANU-AWEZNQCLSA-N
MW289.33 g/mol
LogP1.47
Rot. Bonds7

About 1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea

1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea (PubChem CID 94798536) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
PubChem CID94798536
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
SMILESN#Cc1ccc(NC(=O)NC[C@H](O)COCC2CC2)cc1
InChIInChI=1S/C15H19N3O3/c16-7-11-3-5-13(6-4-11)18-15(20)17-8-14(19)10-21-9-12-1-2-12/h3-6,12,14,19H,1-2,8-10H2,(H2,17,18,20)/t14-/m0/s1
InChIKeyWDZNVJGEWXFANU-AWEZNQCLSA-N
XLogP1.47
TPSA94.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 47090168
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 94801888
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
CID 111103447
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 94797817
1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94800612
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111103548
4-[1-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]ethyl]benzonitrile
CID 60760036
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea
CID 111474965
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]urea
CID 167815203
3-bromo-4-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]benzonitrile
CID 103865872
1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 110911346

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea (CID 94798536) is 1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea is N#Cc1ccc(NC(=O)NC[C@H](O)COCC2CC2)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The InChIKey is WDZNVJGEWXFANU-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-7-11-3-5-13(6-4-11)18-15(20)17-8-14(19)10-21-9-12-1-2-12/h3-6,12,14,19H,1-2,8-10H2,(H2,17,18,20)/t14-/m0/s1.
What are the key properties of 1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea has a molecular weight of 289.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea is sourced from PubChem (CID 94798536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).