1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea

C15H25N3O — CID 61341881

IUPAC1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1ccc(NC(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-11(16-5)12-6-8-13(9-7-12)18-14(19)17-10-15(2,3)4/h6-9,11,16H,10H2,1-5H3,(H2,17,18,19)
InChIKeyQEHZHOBDCSOBFC-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.13
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea

1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 61341881) has the molecular formula C15H25N3O and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
PubChem CID61341881
Molecular FormulaC15H25N3O
Molecular Weight263.39 g/mol
Exact Mass263.20
IUPAC Name1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1ccc(NC(=O)NCC(C)(C)C)cc1
InChIInChI=1S/C15H25N3O/c1-11(16-5)12-6-8-13(9-7-12)18-14(19)17-10-15(2,3)4/h6-9,11,16H,10H2,1-5H3,(H2,17,18,19)
InChIKeyQEHZHOBDCSOBFC-UHFFFAOYSA-N
XLogP3.13
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylbutyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 64598884
N-ethyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61341674
1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea
CID 61167083
1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341492
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-cyclopropyl-2-[[4-[1-(methylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61340222
1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylthiophen-2-yl)methyl]urea
CID 62056596
1-[4-[1-(methylamino)ethyl]phenyl]-3-[(5-methylfuran-2-yl)methyl]urea
CID 62524269
1-(2,2-dimethylpropyl)-3-(4-methylsulfonylphenyl)urea
CID 110774671
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61341241
3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide
CID 106279936

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea (CID 61341881) is 1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea is CNC(C)c1ccc(NC(=O)NCC(C)(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is QEHZHOBDCSOBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(16-5)12-6-8-13(9-7-12)18-14(19)17-10-15(2,3)4/h6-9,11,16H,10H2,1-5H3,(H2,17,18,19).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea?
1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 263.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 61341881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).