1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea

C17H29N3O2 — CID 109388887

IUPAC1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
SMILESCC(C)C(O)C(C)(C)CNC(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C17H29N3O2/c1-12(2)15(21)17(3,4)11-18-16(22)19-13-9-7-8-10-14(13)20(5)6/h7-10,12,15,21H,11H2,1-6H3,(H2,18,19,22)
InChIKeyAKKZXFACLBOEBS-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.92
Rot. Bonds6

About 1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea

1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea (PubChem CID 109388887) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
PubChem CID109388887
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
SMILESCC(C)C(O)C(C)(C)CNC(=O)Nc1ccccc1N(C)C
InChIInChI=1S/C17H29N3O2/c1-12(2)15(21)17(3,4)11-18-16(22)19-13-9-7-8-10-14(13)20(5)6/h7-10,12,15,21H,11H2,1-6H3,(H2,18,19,22)
InChIKeyAKKZXFACLBOEBS-UHFFFAOYSA-N
XLogP2.92
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388620
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-methyl-3-nitrophenyl)urea
CID 109388781
1-[2-(dimethylamino)phenyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111116846
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide
CID 61179694
1-[2-(dimethylamino)phenyl]-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]urea
CID 111473604
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(1-phenylethyl)urea
CID 109389617
3-[[2-(dimethylamino)phenyl]carbamoylamino]butanoic acid
CID 106760433
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-(dimethylamino)phenyl]urea
CID 111452985
4-[2-(dimethylamino)anilino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497232
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
CID 109380534
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
CID 109379511

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
The IUPAC name of 1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea (CID 109388887) is 1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea is CC(C)C(O)C(C)(C)CNC(=O)Nc1ccccc1N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
The InChIKey is AKKZXFACLBOEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(2)15(21)17(3,4)11-18-16(22)19-13-9-7-8-10-14(13)20(5)6/h7-10,12,15,21H,11H2,1-6H3,(H2,18,19,22).
What are the key properties of 1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea?
1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea has a molecular weight of 307.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea is sourced from PubChem (CID 109388887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).