1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea

C13H21N3O — CID 61324339

IUPAC1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NCC(C)(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-13(2,3)9-15-10-5-7-11(8-6-10)16-12(17)14-4/h5-8,15H,9H2,1-4H3,(H2,14,16,17)
InChIKeyNBYLFTRAMFCTSM-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.90
Rot. Bonds3

About 1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea

1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea (PubChem CID 61324339) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea
PubChem CID61324339
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NCC(C)(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-13(2,3)9-15-10-5-7-11(8-6-10)16-12(17)14-4/h5-8,15H,9H2,1-4H3,(H2,14,16,17)
InChIKeyNBYLFTRAMFCTSM-UHFFFAOYSA-N
XLogP2.90
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,3-dimethylbutylamino)phenyl]-3-methylurea
CID 62950033
1-[4-[2-(tert-butylamino)ethylamino]phenyl]-3-methylurea
CID 107445245
3-chloro-2,2-dimethyl-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 63680187
1-[4-(butylamino)phenyl]-3-methylurea
CID 43744434
1-(4-ethylphenyl)-3-methylurea
CID 54250791
ethane;1-(4-ethylphenyl)-3-methylurea
CID 143679761
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
1-(4-aminophenyl)-3-(2,2-dimethylpropyl)urea
CID 61167083
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
1-methyl-3-[4-(3-methylsulfanylpropylamino)phenyl]urea
CID 43744307
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
1-methyl-3-phenylurea;propane
CID 142949663

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea?
The IUPAC name of 1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea (CID 61324339) is 1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea?
The canonical SMILES for 1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea is CNC(=O)Nc1ccc(NCC(C)(C)C)cc1.
What is the InChIKey of 1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea?
The InChIKey is NBYLFTRAMFCTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)9-15-10-5-7-11(8-6-10)16-12(17)14-4/h5-8,15H,9H2,1-4H3,(H2,14,16,17).
What are the key properties of 1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea?
1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea has a molecular weight of 235.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropylamino)phenyl]-3-methylurea is sourced from PubChem (CID 61324339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).