3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea

C19H30N2O3 — CID 126452399

IUPAC3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea
SMILESCCN(C[C@@H](O)COc1ccccc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C19H30N2O3/c1-2-21(19(23)20-13-16-9-5-3-6-10-16)14-17(22)15-24-18-11-7-4-8-12-18/h4,7-8,11-12,16-17,22H,2-3,5-6,9-10,13-15H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyKRBBDTXZUKOBIE-QGZVFWFLSA-N
MW334.46 g/mol
LogP3.04
Rot. Bonds8

About 3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea

3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea (PubChem CID 126452399) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea
PubChem CID126452399
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea
SMILESCCN(C[C@@H](O)COc1ccccc1)C(=O)NCC1CCCCC1
InChIInChI=1S/C19H30N2O3/c1-2-21(19(23)20-13-16-9-5-3-6-10-16)14-17(22)15-24-18-11-7-4-8-12-18/h4,7-8,11-12,16-17,22H,2-3,5-6,9-10,13-15H2,1H3,(H,20,23)/t17-/m1/s1
InChIKeyKRBBDTXZUKOBIE-QGZVFWFLSA-N
XLogP3.04
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
CID 108902577
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
3-(cyclooctylmethyl)-1-(cyclopropylmethyl)-1-ethylurea
CID 86940440
butyl-(2-hydroxy-3-phenoxypropyl)carbamic acid
CID 173251132
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
N-(cyclopropylmethyl)-1-(2-hydroxy-3-phenoxypropyl)piperidine-3-carboxamide
CID 110892635
1-[methyl-(2-methylsulfanylcyclopentyl)amino]-3-phenoxypropan-2-ol
CID 111490306
(2S)-1-[ethyl(2-methylprop-2-enyl)amino]-3-phenoxypropan-2-ol
CID 2102012
2-cyclopropyl-N-ethyl-N-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]acetamide
CID 122136474
1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
CID 111106340
1-[4-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]propan-1-one
CID 1265839

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea?
The IUPAC name of 3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea (CID 126452399) is 3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea.
What is the SMILES notation for 3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea?
The canonical SMILES for 3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea is CCN(C[C@@H](O)COc1ccccc1)C(=O)NCC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea?
The InChIKey is KRBBDTXZUKOBIE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-2-21(19(23)20-13-16-9-5-3-6-10-16)14-17(22)15-24-18-11-7-4-8-12-18/h4,7-8,11-12,16-17,22H,2-3,5-6,9-10,13-15H2,1H3,(H,20,23)/t17-/m1/s1.
What are the key properties of 3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea?
3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea has a molecular weight of 334.46 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-1-ethyl-1-[(2R)-2-hydroxy-3-phenoxypropyl]urea is sourced from PubChem (CID 126452399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).