1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea

C24H32N4O4 — CID 27017960

IUPAC1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
SMILESCOc1cccc(NC(=O)NC[C@H]2CCC[C@@H](CNC(=O)Nc3cccc(OC)c3)C2)c1
InChIInChI=1S/C24H32N4O4/c1-31-21-10-4-8-19(13-21)27-23(29)25-15-17-6-3-7-18(12-17)16-26-24(30)28-20-9-5-11-22(14-20)32-2/h4-5,8-11,13-14,17-18H,3,6-7,12,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30)/t17-,18+
InChIKeyUTDWVQOGGKKSHX-HDICACEKSA-N
MW440.54 g/mol
LogP4.45
Rot. Bonds8

About 1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea

1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea (PubChem CID 27017960) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
PubChem CID27017960
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
SMILESCOc1cccc(NC(=O)NC[C@H]2CCC[C@@H](CNC(=O)Nc3cccc(OC)c3)C2)c1
InChIInChI=1S/C24H32N4O4/c1-31-21-10-4-8-19(13-21)27-23(29)25-15-17-6-3-7-18(12-17)16-26-24(30)28-20-9-5-11-22(14-20)32-2/h4-5,8-11,13-14,17-18H,3,6-7,12,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30)/t17-,18+
InChIKeyUTDWVQOGGKKSHX-HDICACEKSA-N
XLogP4.45
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea with MolForge

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Related Compounds

1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568
1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea
CID 64928641
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea
CID 111473884
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
2-[(3-hydroxycyclohexyl)methylamino]-N-(3-methoxyphenyl)acetamide
CID 106132626
[3-[[3-[[(3-naphthalen-2-ylsulfonyloxyphenyl)carbamoylamino]methyl]cyclohexyl]methylcarbamoylamino]phenyl] naphthalene-2-sulfonate
CID 155661532
1-(3-methoxyphenyl)-3-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 52510079
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 103709893

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea (CID 27017960) is 1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea is COc1cccc(NC(=O)NC[C@H]2CCC[C@@H](CNC(=O)Nc3cccc(OC)c3)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea?
The InChIKey is UTDWVQOGGKKSHX-HDICACEKSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-31-21-10-4-8-19(13-21)27-23(29)25-15-17-6-3-7-18(12-17)16-26-24(30)28-20-9-5-11-22(14-20)32-2/h4-5,8-11,13-14,17-18H,3,6-7,12,15-16H2,1-2H3,(H2,25,27,29)(H2,26,28,30)/t17-,18+.
What are the key properties of 1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea?
1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea has a molecular weight of 440.54 g/mol, XLogP of 4.45, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea is sourced from PubChem (CID 27017960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).