1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea

C13H17N3O3 — CID 7615867

IUPAC1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
SMILESO=C(Nc1c[nH]c2ccccc12)N(CCO)CCO
InChIInChI=1S/C13H17N3O3/c17-7-5-16(6-8-18)13(19)15-12-9-14-11-4-2-1-3-10(11)12/h1-4,9,14,17-18H,5-8H2,(H,15,19)
InChIKeyPUPULYIPTMCOJP-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.99
Rot. Bonds5

About 1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea

1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea (PubChem CID 7615867) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
PubChem CID7615867
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
SMILESO=C(Nc1c[nH]c2ccccc12)N(CCO)CCO
InChIInChI=1S/C13H17N3O3/c17-7-5-16(6-8-18)13(19)15-12-9-14-11-4-2-1-3-10(11)12/h1-4,9,14,17-18H,5-8H2,(H,15,19)
InChIKeyPUPULYIPTMCOJP-UHFFFAOYSA-N
XLogP0.99
TPSA88.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615873
4-hydroxy-N-(1H-indol-3-yl)butanamide
CID 115162786
1H-indol-3-ylcarbamic acid
CID 66672709
1-benzyl-3-(1H-indol-3-yl)-1-propan-2-ylurea
CID 7615872
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
1-[3-(diethylamino)propyl]-3-(1H-indol-3-yl)urea
CID 7615961
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942
4-(2-hydroxyethyl)-N-(1H-indol-3-yl)piperazin-4-ium-1-carboxamide
CID 7615912
1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 115182528

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea (CID 7615867) is 1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea is O=C(Nc1c[nH]c2ccccc12)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea?
The InChIKey is PUPULYIPTMCOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-7-5-16(6-8-18)13(19)15-12-9-14-11-4-2-1-3-10(11)12/h1-4,9,14,17-18H,5-8H2,(H,15,19).
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea?
1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea has a molecular weight of 263.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea is sourced from PubChem (CID 7615867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).