1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea

C21H27N3O3 — CID 166834841

IUPAC1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea
SMILESCOc1ccc(CNC(=O)NC2CCC(OCc3cccnc3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-19-8-4-16(5-9-19)14-23-21(25)24-18-6-10-20(11-7-18)27-15-17-3-2-12-22-13-17/h2-5,8-9,12-13,18,20H,6-7,10-11,14-15H2,1H3,(H2,23,24,25)
InChIKeyVGTRMHZKRZHRQF-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.42
Rot. Bonds7

About 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea

1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea (PubChem CID 166834841) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea
PubChem CID166834841
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea
SMILESCOc1ccc(CNC(=O)NC2CCC(OCc3cccnc3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-19-8-4-16(5-9-19)14-23-21(25)24-18-6-10-20(11-7-18)27-15-17-3-2-12-22-13-17/h2-5,8-9,12-13,18,20H,6-7,10-11,14-15H2,1H3,(H2,23,24,25)
InChIKeyVGTRMHZKRZHRQF-UHFFFAOYSA-N
XLogP3.42
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea
CID 166834962
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea
CID 156824740
ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 110706271
cis-(1R,3S)-3-[(4-methoxyphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106324061
1-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-3-[(4-methoxyphenyl)methyl]urea
CID 91922912
2-cyclohexyloxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]acetamide
CID 55840932
cis-(1R,3S)-3-(pyridin-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324252
3-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 142207375
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
N-[(4-methoxyphenyl)methyl]-2-[(4-phenylcyclohexyl)carbamoylamino]acetamide
CID 48515720

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea (CID 166834841) is 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea is COc1ccc(CNC(=O)NC2CCC(OCc3cccnc3)CC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea?
The InChIKey is VGTRMHZKRZHRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-19-8-4-16(5-9-19)14-23-21(25)24-18-6-10-20(11-7-18)27-15-17-3-2-12-22-13-17/h2-5,8-9,12-13,18,20H,6-7,10-11,14-15H2,1H3,(H2,23,24,25).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea?
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea has a molecular weight of 369.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)cyclohexyl]urea is sourced from PubChem (CID 166834841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).