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

C16H23ClN2O3 — CID 110911346

IUPAC1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
SMILESCC(NC(=O)NCC(O)COCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3/c1-11(13-4-6-14(17)7-5-13)19-16(21)18-8-15(20)10-22-9-12-2-3-12/h4-7,11-12,15,20H,2-3,8-10H2,1H3,(H2,18,19,21)
InChIKeySQTYYMGPPRDJFL-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.49
Rot. Bonds8

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

1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea (PubChem CID 110911346) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
PubChem CID110911346
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
SMILESCC(NC(=O)NCC(O)COCC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3/c1-11(13-4-6-14(17)7-5-13)19-16(21)18-8-15(20)10-22-9-12-2-3-12/h4-7,11-12,15,20H,2-3,8-10H2,1H3,(H2,18,19,21)
InChIKeySQTYYMGPPRDJFL-UHFFFAOYSA-N
XLogP2.49
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 110911350
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 110911377
1-(3-chlorophenyl)-3-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]urea
CID 94800612
4-[1-[[3-(cyclopropylmethoxy)-2-hydroxypropyl]amino]ethyl]benzonitrile
CID 60760036
3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
CID 111662976
1-(2-hydroxy-3-methoxypropyl)-3-[1-(4-methylphenyl)ethyl]urea
CID 111426760
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-(4-ethylphenyl)urea
CID 111103447
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-fluorophenyl)urea
CID 94801888
2-[[1-(4-chlorophenyl)ethylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65221297

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea (CID 110911346) is 1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea is CC(NC(=O)NCC(O)COCC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
The InChIKey is SQTYYMGPPRDJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11(13-4-6-14(17)7-5-13)19-16(21)18-8-15(20)10-22-9-12-2-3-12/h4-7,11-12,15,20H,2-3,8-10H2,1H3,(H2,18,19,21).
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea?
1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea has a molecular weight of 326.82 g/mol, XLogP of 2.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-3-[3-(cyclopropylmethoxy)-2-hydroxypropyl]urea is sourced from PubChem (CID 110911346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).