1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

C17H29N3O2 — CID 110911654

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCC(C)N(CCNC(=O)NCc1ccccc1CO)C(C)C
InChIInChI=1S/C17H29N3O2/c1-13(2)20(14(3)4)10-9-18-17(22)19-11-15-7-5-6-8-16(15)12-21/h5-8,13-14,21H,9-12H2,1-4H3,(H2,18,19,22)
InChIKeyLFKIBCLIEFQLIZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.10
Rot. Bonds8

About 1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 110911654) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
PubChem CID110911654
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCC(C)N(CCNC(=O)NCc1ccccc1CO)C(C)C
InChIInChI=1S/C17H29N3O2/c1-13(2)20(14(3)4)10-9-18-17(22)19-11-15-7-5-6-8-16(15)12-21/h5-8,13-14,21H,9-12H2,1-4H3,(H2,18,19,22)
InChIKeyLFKIBCLIEFQLIZ-UHFFFAOYSA-N
XLogP2.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111751057
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924420
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
CID 110894307
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144
(2R)-2-(dimethylamino)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 97017597
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924358
1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924408
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 110924287
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 110911683
1-[(1-ethylcyclopropyl)methyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111840872
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 111453913

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (CID 110911654) is 1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is CC(C)N(CCNC(=O)NCc1ccccc1CO)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is LFKIBCLIEFQLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(2)20(14(3)4)10-9-18-17(22)19-11-15-7-5-6-8-16(15)12-21/h5-8,13-14,21H,9-12H2,1-4H3,(H2,18,19,22).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 307.44 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 110911654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).