1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea

C14H23N3O — CID 83116479

IUPAC1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea
SMILESCC(CNCCNC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-12(13-7-5-4-6-8-13)11-15-9-10-16-14(18)17(2)3/h4-8,12,15H,9-11H2,1-3H3,(H,16,18)
InChIKeyGTOLKYDGSVPVFM-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.65
Rot. Bonds6

About 1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea

1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea (PubChem CID 83116479) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea
PubChem CID83116479
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea
SMILESCC(CNCCNC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-12(13-7-5-4-6-8-13)11-15-9-10-16-14(18)17(2)3/h4-8,12,15H,9-11H2,1-3H3,(H,16,18)
InChIKeyGTOLKYDGSVPVFM-UHFFFAOYSA-N
XLogP1.65
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[(2R)-2-phenylpropyl]ethane-1,2-diamine
CID 28607795
1,1-dimethyl-3-[2-[(3-methyl-1-phenylbutyl)amino]ethyl]urea
CID 83117113
1,1-dimethyl-3-[2-(2-phenylethylamino)ethyl]urea
CID 83116955
1-ethyl-1-methyl-3-[(2S)-2-phenylpropyl]urea
CID 97028200
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
3-methyl-N-(2-phenylpropyl)butan-1-amine
CID 17207090
3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
CID 83120713
(2R)-2-(dimethylamino)-2-phenyl-N-[(2R)-2-phenylpropyl]acetamide
CID 99645937
2-[methyl(3-phenylbutylcarbamoyl)amino]propanoic acid
CID 62988748
N-(2-methylsulfinylethyl)-2-phenylpropan-1-amine
CID 115763450
3-[2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]ethyl]-1,1-dimethylurea
CID 83113305
2-chloro-N-(2-phenylpropylcarbamoyl)acetamide
CID 104592070

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea (CID 83116479) is 1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea is CC(CNCCNC(=O)N(C)C)c1ccccc1.
What is the InChIKey of 1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea?
The InChIKey is GTOLKYDGSVPVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(13-7-5-4-6-8-13)11-15-9-10-16-14(18)17(2)3/h4-8,12,15H,9-11H2,1-3H3,(H,16,18).
What are the key properties of 1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea?
1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea has a molecular weight of 249.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-(2-phenylpropylamino)ethyl]urea is sourced from PubChem (CID 83116479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).