1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea

C18H28N2O3 — CID 47875472

IUPAC1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)NC(C)CO)CCCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-14(12-21)20-17(22)19-13-18(10-4-3-5-11-18)15-6-8-16(23-2)9-7-15/h6-9,14,21H,3-5,10-13H2,1-2H3,(H2,19,20,22)
InChIKeyFZNGFOZYFDHGFT-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.58
Rot. Bonds6

About 1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea

1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea (PubChem CID 47875472) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
PubChem CID47875472
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)NC(C)CO)CCCCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-14(12-21)20-17(22)19-13-18(10-4-3-5-11-18)15-6-8-16(23-2)9-7-15/h6-9,14,21H,3-5,10-13H2,1-2H3,(H2,19,20,22)
InChIKeyFZNGFOZYFDHGFT-UHFFFAOYSA-N
XLogP2.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-3-hydroxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]propanamide
CID 75395672
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
2-amino-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-methylbutanamide
CID 110481439
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
4-[[1-(4-methoxyphenyl)cyclobutyl]methylcarbamoylamino]butanoic acid
CID 122009757
(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 126431688
4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide
CID 74232996
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881
2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
CID 60586923

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea (CID 47875472) is 1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea is COc1ccc(C2(CNC(=O)NC(C)CO)CCCCC2)cc1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea?
The InChIKey is FZNGFOZYFDHGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(12-21)20-17(22)19-13-18(10-4-3-5-11-18)15-6-8-16(23-2)9-7-15/h6-9,14,21H,3-5,10-13H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea?
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea is sourced from PubChem (CID 47875472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).