1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea

C21H28N2O5 — CID 113217169

IUPAC1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(CCNC(=O)Nc2ccc(OC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O5/c1-14(2)28-17-8-6-16(7-9-17)23-21(24)22-11-10-15-12-18(25-3)20(27-5)19(13-15)26-4/h6-9,12-14H,10-11H2,1-5H3,(H2,22,23,24)
InChIKeyXPFYGEHVXDPEBH-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.86
Rot. Bonds9

About 1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea

1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 113217169) has the molecular formula C21H28N2O5 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID113217169
Molecular FormulaC21H28N2O5
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(CCNC(=O)Nc2ccc(OC(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O5/c1-14(2)28-17-8-6-16(7-9-17)23-21(24)22-11-10-15-12-18(25-3)20(27-5)19(13-15)26-4/h6-9,12-14H,10-11H2,1-5H3,(H2,22,23,24)
InChIKeyXPFYGEHVXDPEBH-UHFFFAOYSA-N
XLogP3.86
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea with MolForge

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Related Compounds

N-(4-propan-2-yloxyphenyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108987392
1-(3-methylphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217127
1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116713
1-(4-methoxyphenyl)-3-[2-(3,4,5-trihydroxyphenyl)ethyl]urea
CID 163876948
1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea
CID 108988372
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101
1-(3-methoxypropyl)-3-(4-propan-2-yloxyphenyl)-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111494538
1-(3-methylbutyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 51712129
1-[2-(3-bromophenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866790
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420
2-[2-[(4-propan-2-yloxyphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463310
1-(4-iodophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3547094

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea (CID 113217169) is 1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea is COc1cc(CCNC(=O)Nc2ccc(OC(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is XPFYGEHVXDPEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O5/c1-14(2)28-17-8-6-16(7-9-17)23-21(24)22-11-10-15-12-18(25-3)20(27-5)19(13-15)26-4/h6-9,12-14H,10-11H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 388.46 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 113217169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).