1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea

C21H28N2O2 — CID 113216496

IUPAC1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCCc1cccc(CC)c1NC(=O)NC(C)(C)c1ccc(OC)cc1
InChIInChI=1S/C21H28N2O2/c1-6-15-9-8-10-16(7-2)19(15)22-20(24)23-21(3,4)17-11-13-18(25-5)14-12-17/h8-14H,6-7H2,1-5H3,(H2,22,23,24)
InChIKeyXBDLHIITMOIQSW-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.88
Rot. Bonds6

About 1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea

1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea (PubChem CID 113216496) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
PubChem CID113216496
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
SMILESCCc1cccc(CC)c1NC(=O)NC(C)(C)c1ccc(OC)cc1
InChIInChI=1S/C21H28N2O2/c1-6-15-9-8-10-16(7-2)19(15)22-20(24)23-21(3,4)17-11-13-18(25-5)14-12-17/h8-14H,6-7H2,1-5H3,(H2,22,23,24)
InChIKeyXBDLHIITMOIQSW-UHFFFAOYSA-N
XLogP4.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216514
1-[2-(4-methoxyphenyl)propan-2-yl]-3-[(2-methylphenyl)methyl]urea
CID 113216413
1-[(2-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216418
3-[(2,6-diethylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 64701407
1-[2-(4-methoxyphenoxy)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216461
1-[2-(4-chlorophenyl)propan-2-yl]-3-(2-ethylphenyl)urea
CID 113216326
1-[2-(dimethylamino)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216404
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216560
(2S)-N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28631658
1-(3-chloro-4-methylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216506
2-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)propan-2-yl]acetamide
CID 113091682
1-[(4-chlorophenyl)methyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216421

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea (CID 113216496) is 1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea is CCc1cccc(CC)c1NC(=O)NC(C)(C)c1ccc(OC)cc1.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
The InChIKey is XBDLHIITMOIQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-6-15-9-8-10-16(7-2)19(15)22-20(24)23-21(3,4)17-11-13-18(25-5)14-12-17/h8-14H,6-7H2,1-5H3,(H2,22,23,24).
What are the key properties of 1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea?
1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea has a molecular weight of 340.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-[2-(4-methoxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 113216496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).