1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea

C16H27N3O2 — CID 61341241

IUPAC1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1ccc(NC(=O)NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-12(20)13-6-8-14(9-7-13)18-15(21)17-10-16(2,3)11-19(4)5/h6-9,12,20H,10-11H2,1-5H3,(H2,17,18,21)
InChIKeyIGIMWBKQVTXCQN-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.45
Rot. Bonds6

About 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea

1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea (PubChem CID 61341241) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea
PubChem CID61341241
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea
SMILESCC(O)c1ccc(NC(=O)NCC(C)(C)CN(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-12(20)13-6-8-14(9-7-13)18-15(21)17-10-16(2,3)11-19(4)5/h6-9,12,20H,10-11H2,1-5H3,(H2,17,18,21)
InChIKeyIGIMWBKQVTXCQN-UHFFFAOYSA-N
XLogP2.45
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 61347612
1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 114943941
1-[4-(1-hydroxyethyl)phenyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 62641101
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701
3-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]benzoic acid
CID 61192307
1-(2,2-dimethylpropyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341881
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
1-(4-acetylphenyl)-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea
CID 18230092
1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea
CID 63699163
1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea
CID 61342170
(2S)-2-[[3-(dimethylamino)-2,2-dimethylpropyl]carbamoylamino]propanoic acid
CID 78967764
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea?
The IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea (CID 61341241) is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea is CC(O)c1ccc(NC(=O)NCC(C)(C)CN(C)C)cc1.
What is the InChIKey of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea?
The InChIKey is IGIMWBKQVTXCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(20)13-6-8-14(9-7-13)18-15(21)17-10-16(2,3)11-19(4)5/h6-9,12,20H,10-11H2,1-5H3,(H2,17,18,21).
What are the key properties of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea?
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea has a molecular weight of 293.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[4-(1-hydroxyethyl)phenyl]urea is sourced from PubChem (CID 61341241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).