1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea

C11H25N3O2 — CID 110894307

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
SMILESCC(C)N(CCNC(=O)NCCO)C(C)C
InChIInChI=1S/C11H25N3O2/c1-9(2)14(10(3)4)7-5-12-11(16)13-6-8-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13,16)
InChIKeyXDTWFQLWRZGPLP-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.40
Rot. Bonds7

About 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea

1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea (PubChem CID 110894307) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
PubChem CID110894307
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
SMILESCC(C)N(CCNC(=O)NCCO)C(C)C
InChIInChI=1S/C11H25N3O2/c1-9(2)14(10(3)4)7-5-12-11(16)13-6-8-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13,16)
InChIKeyXDTWFQLWRZGPLP-UHFFFAOYSA-N
XLogP0.40
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[di(propan-2-yl)amino]ethyl]-3-pentylurea
CID 4984668
(2S)-3-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107837851
1-(2-aminoethyl)-3-[2-[di(propan-2-yl)amino]ethyl]urea;2,2,2-trifluoroacetic acid
CID 87451578
1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911654
(2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid
CID 79009736
N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide
CID 18071565
4-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-4-oxobutanoic acid
CID 28745891
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
CID 87732978
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-sulfanylbutanamide
CID 107019789
propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
CID 116653876
2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 61180979

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea (CID 110894307) is 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea is CC(C)N(CCNC(=O)NCCO)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea?
The InChIKey is XDTWFQLWRZGPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-9(2)14(10(3)4)7-5-12-11(16)13-6-8-15/h9-10,15H,5-8H2,1-4H3,(H2,12,13,16).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea?
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea has a molecular weight of 231.34 g/mol, XLogP of 0.40, 7 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-hydroxyethyl)urea is sourced from PubChem (CID 110894307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).