1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea

C19H26N6O2 — CID 12842685

IUPAC1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea
SMILESCN(C)NC(=O)Nc1ccc(Cc2ccc(NC(=O)NN(C)C)cc2)cc1
InChIInChI=1S/C19H26N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h5-12H,13H2,1-4H3,(H2,20,22,26)(H2,21,23,27)
InChIKeyAQABZFKTYXFIJF-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.47
Rot. Bonds6

About 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea

1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea (PubChem CID 12842685) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea.

Molecular Properties

Compound Name1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea
PubChem CID12842685
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea
SMILESCN(C)NC(=O)Nc1ccc(Cc2ccc(NC(=O)NN(C)C)cc2)cc1
InChIInChI=1S/C19H26N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h5-12H,13H2,1-4H3,(H2,20,22,26)(H2,21,23,27)
InChIKeyAQABZFKTYXFIJF-UHFFFAOYSA-N
XLogP2.47
TPSA88.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzylphenyl)-3-methylurea
CID 145326557
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
1-[4-(dimethylamino)butyl]-3-[4-[[4-[4-(dimethylamino)butylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 139956196
3-(dimethylamino)-N-[4-[[4-[3-(dimethylamino)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139956232
3-[4-[[4-(dipropylcarbamoylamino)phenyl]methyl]phenyl]-1,1-dipropylurea
CID 3593543
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155
1-[4-(dimethylaminocarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112558536
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
1-(4-ethylphenyl)-3-methylurea
CID 54250791
3-oxo-N-[4-[[4-(3-oxobutanoylamino)phenyl]methyl]phenyl]butanamide
CID 4165564
1-propan-2-ylsulfonyl-3-[4-[[4-(propan-2-ylsulfonylcarbamoylamino)phenyl]methyl]phenyl]urea
CID 19966672
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea?
The IUPAC name of 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea (CID 12842685) is 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea.
What is the SMILES notation for 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea?
The canonical SMILES for 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea is CN(C)NC(=O)Nc1ccc(Cc2ccc(NC(=O)NN(C)C)cc2)cc1.
What is the InChIKey of 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea?
The InChIKey is AQABZFKTYXFIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-24(2)22-18(26)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(27)23-25(3)4/h5-12H,13H2,1-4H3,(H2,20,22,26)(H2,21,23,27).
What are the key properties of 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea?
1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea has a molecular weight of 370.46 g/mol, XLogP of 2.47, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)phenyl]methyl]phenyl]urea is sourced from PubChem (CID 12842685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).