1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea

C18H28N2O4 — CID 125438610

IUPAC1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea
SMILESCOc1ccc(OC[C@@H](O)CNC(=O)NC2(C)CCCCC2)cc1
InChIInChI=1S/C18H28N2O4/c1-18(10-4-3-5-11-18)20-17(22)19-12-14(21)13-24-16-8-6-15(23-2)7-9-16/h6-9,14,21H,3-5,10-13H2,1-2H3,(H2,19,20,22)/t14-/m0/s1
InChIKeyNKZYICZCPDIBTI-AWEZNQCLSA-N
MW336.43 g/mol
LogP2.46
Rot. Bonds7

About 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea

1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea (PubChem CID 125438610) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea
PubChem CID125438610
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea
SMILESCOc1ccc(OC[C@@H](O)CNC(=O)NC2(C)CCCCC2)cc1
InChIInChI=1S/C18H28N2O4/c1-18(10-4-3-5-11-18)20-17(22)19-12-14(21)13-24-16-8-6-15(23-2)7-9-16/h6-9,14,21H,3-5,10-13H2,1-2H3,(H2,19,20,22)/t14-/m0/s1
InChIKeyNKZYICZCPDIBTI-AWEZNQCLSA-N
XLogP2.46
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-[1-(methoxymethyl)cyclopentyl]urea
CID 122560545
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-nitrobenzamide
CID 889930
1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 6975841
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
CID 126437318
methyl 2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]acetate
CID 60904602
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
2-methoxy-3-[(1-methylcyclopentyl)carbamoylamino]propanoic acid
CID 106110254
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114629454
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 6930395

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea (CID 125438610) is 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea is COc1ccc(OC[C@@H](O)CNC(=O)NC2(C)CCCCC2)cc1.
What is the InChIKey of 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea?
The InChIKey is NKZYICZCPDIBTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-18(10-4-3-5-11-18)20-17(22)19-12-14(21)13-24-16-8-6-15(23-2)7-9-16/h6-9,14,21H,3-5,10-13H2,1-2H3,(H2,19,20,22)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea?
1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea has a molecular weight of 336.43 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-(1-methylcyclohexyl)urea is sourced from PubChem (CID 125438610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).