1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea

C20H26N4O — CID 135823938

IUPAC1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
SMILESCCc1cccc(CC)c1/N=C(\N)NC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H26N4O/c1-5-15-11-8-12-16(6-2)18(15)22-19(21)24-20(25)23-17-13(3)9-7-10-14(17)4/h7-12H,5-6H2,1-4H3,(H4,21,22,23,24,25)
InChIKeyGXWDYUCUKMBPHK-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.20
Rot. Bonds4

About 1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea

1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea (PubChem CID 135823938) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
PubChem CID135823938
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
SMILESCCc1cccc(CC)c1/N=C(\N)NC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C20H26N4O/c1-5-15-11-8-12-16(6-2)18(15)22-19(21)24-20(25)23-17-13(3)9-7-10-14(17)4/h7-12H,5-6H2,1-4H3,(H4,21,22,23,24,25)
InChIKeyGXWDYUCUKMBPHK-UHFFFAOYSA-N
XLogP4.20
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
CID 3049597
1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
CID 53351559
1-(N'-butylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea
CID 13023382
1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea
CID 13023376
1-(2-ethyl-6-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910219
1-(2,6-dimethylphenyl)-3-(N'-pentan-2-ylcarbamimidoyl)urea;hydrochloride
CID 70615053
1-(2-ethyl-6-methylphenyl)-2-methylguanidine
CID 62378878
2-[[amino-(methylcarbamoylamino)methylidene]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 171343437
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-3-propan-2-ylurea
CID 135689317
2-(2,6-dimethylanilino)-3-ethylbenzamide
CID 21484509

Frequently Asked Questions

What is the IUPAC name of 1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea (CID 135823938) is 1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea is CCc1cccc(CC)c1/N=C(\N)NC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea?
The InChIKey is GXWDYUCUKMBPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-5-15-11-8-12-16(6-2)18(15)22-19(21)24-20(25)23-17-13(3)9-7-10-14(17)4/h7-12H,5-6H2,1-4H3,(H4,21,22,23,24,25).
What are the key properties of 1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea?
1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea has a molecular weight of 338.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 135823938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).