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

C16H24N2O3 — CID 111103447

IUPAC1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCC(O)COCC2CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-2-12-5-7-14(8-6-12)18-16(20)17-9-15(19)11-21-10-13-3-4-13/h5-8,13,15,19H,2-4,9-11H2,1H3,(H2,17,18,20)
InChIKeyLSHFJFNNGMDCBW-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.16
Rot. Bonds8

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

1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea (PubChem CID 111103447) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
PubChem CID111103447
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
SMILESCCc1ccc(NC(=O)NCC(O)COCC2CC2)cc1
InChIInChI=1S/C16H24N2O3/c1-2-12-5-7-14(8-6-12)18-16(20)17-9-15(19)11-21-10-13-3-4-13/h5-8,13,15,19H,2-4,9-11H2,1H3,(H2,17,18,20)
InChIKeyLSHFJFNNGMDCBW-UHFFFAOYSA-N
XLogP2.16
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 94801888
1-(4-cyanophenyl)-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 47090168
1-(4-cyanophenyl)-3-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94798536
1-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 94797817
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 111103548
1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94800612
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(1-propylindol-6-yl)urea
CID 111474965
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(2,4,6-trimethylphenyl)urea
CID 111103394
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[4-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]urea
CID 167815203
1-(cyclopropylmethoxy)-3-(3-ethylanilino)propan-2-ol
CID 60900515
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 110911346

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea?
The IUPAC name of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea (CID 111103447) is 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea is CCc1ccc(NC(=O)NCC(O)COCC2CC2)cc1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea?
The InChIKey is LSHFJFNNGMDCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-12-5-7-14(8-6-12)18-16(20)17-9-15(19)11-21-10-13-3-4-13/h5-8,13,15,19H,2-4,9-11H2,1H3,(H2,17,18,20).
What are the key properties of 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea?
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea has a molecular weight of 292.38 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea is sourced from PubChem (CID 111103447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).