1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea

C20H28N4O — CID 134359795

IUPAC1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea
SMILESCc1cc(C)cc(NC(=O)NCC(C)CNc2c(C)cncc2C)c1
InChIInChI=1S/C20H28N4O/c1-13-6-14(2)8-18(7-13)24-20(25)23-10-15(3)9-22-19-16(4)11-21-12-17(19)5/h6-8,11-12,15H,9-10H2,1-5H3,(H,21,22)(H2,23,24,25)
InChIKeyQSTSNZNMCWYBGJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.18
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea

1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea (PubChem CID 134359795) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea
PubChem CID134359795
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea
SMILESCc1cc(C)cc(NC(=O)NCC(C)CNc2c(C)cncc2C)c1
InChIInChI=1S/C20H28N4O/c1-13-6-14(2)8-18(7-13)24-20(25)23-10-15(3)9-22-19-16(4)11-21-12-17(19)5/h6-8,11-12,15H,9-10H2,1-5H3,(H,21,22)(H2,23,24,25)
InChIKeyQSTSNZNMCWYBGJ-UHFFFAOYSA-N
XLogP4.18
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea with MolForge

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Related Compounds

1-(3-chloro-5-fluorophenyl)-3-[3-[(3,5-dichloro-4-pyridinyl)amino]-2-methylpropyl]urea
CID 134359772
2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107586007
4-[(3-bromo-5-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 107576529
1-[2-[(3,5-dimethyl-4-pyridinyl)amino]ethyl]-3-(3-fluorophenyl)urea
CID 134359780
1-(3,5-dimethylphenyl)-3-propan-2-ylurea
CID 4054179
5-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63957326
1-(4-hydroxy-2-methylpentyl)-3-(3-methylphenyl)urea
CID 111444676
2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
CID 107265694
2-hydroxy-3-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 66167337
1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea
CID 47385463
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
1-(cyclopropylmethyl)-3-(3,5-dimethylphenyl)urea
CID 5188255

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea (CID 134359795) is 1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea is Cc1cc(C)cc(NC(=O)NCC(C)CNc2c(C)cncc2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea?
The InChIKey is QSTSNZNMCWYBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-13-6-14(2)8-18(7-13)24-20(25)23-10-15(3)9-22-19-16(4)11-21-12-17(19)5/h6-8,11-12,15H,9-10H2,1-5H3,(H,21,22)(H2,23,24,25).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea?
1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea has a molecular weight of 340.47 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[3-[(3,5-dimethyl-4-pyridinyl)amino]-2-methylpropyl]urea is sourced from PubChem (CID 134359795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).