1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea

C15H21N3O3 — CID 110013288

IUPAC1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
SMILESCOc1cccc2[nH]cc(CCNC(=O)NC(C)CO)c12
InChIInChI=1S/C15H21N3O3/c1-10(9-19)18-15(20)16-7-6-11-8-17-12-4-3-5-13(21-2)14(11)12/h3-5,8,10,17,19H,6-7,9H2,1-2H3,(H2,16,18,20)
InChIKeySAUPZSBIKDIQMI-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.40
Rot. Bonds6

About 1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea

1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea (PubChem CID 110013288) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
PubChem CID110013288
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
SMILESCOc1cccc2[nH]cc(CCNC(=O)NC(C)CO)c12
InChIInChI=1S/C15H21N3O3/c1-10(9-19)18-15(20)16-7-6-11-8-17-12-4-3-5-13(21-2)14(11)12/h3-5,8,10,17,19H,6-7,9H2,1-2H3,(H2,16,18,20)
InChIKeySAUPZSBIKDIQMI-UHFFFAOYSA-N
XLogP1.40
TPSA86.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005911
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 120523694
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110009904
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013344
3-(hydroxymethyl)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 84597590
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 120537179
N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110007526
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
1-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-[(1S,6R,7R)-2-oxabicyclo[4.2.0]octan-7-yl]urea
CID 129399452

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea (CID 110013288) is 1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea is COc1cccc2[nH]cc(CCNC(=O)NC(C)CO)c12.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea?
The InChIKey is SAUPZSBIKDIQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(9-19)18-15(20)16-7-6-11-8-17-12-4-3-5-13(21-2)14(11)12/h3-5,8,10,17,19H,6-7,9H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea?
1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea has a molecular weight of 291.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 110013288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).