1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea

C16H23N3O3 — CID 40519808

IUPAC1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
SMILESCOCCn1cc(NC(=O)NC(C)(C)CO)c2ccccc21
InChIInChI=1S/C16H23N3O3/c1-16(2,11-20)18-15(21)17-13-10-19(8-9-22-3)14-7-5-4-6-12(13)14/h4-7,10,20H,8-9,11H2,1-3H3,(H2,17,18,21)
InChIKeyCPOBUGUJYXZGFH-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.18
Rot. Bonds6

About 1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea

1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea (PubChem CID 40519808) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
PubChem CID40519808
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
SMILESCOCCn1cc(NC(=O)NC(C)(C)CO)c2ccccc21
InChIInChI=1S/C16H23N3O3/c1-16(2,11-20)18-15(21)17-13-10-19(8-9-22-3)14-7-5-4-6-12(13)14/h4-7,10,20H,8-9,11H2,1-3H3,(H2,17,18,21)
InChIKeyCPOBUGUJYXZGFH-UHFFFAOYSA-N
XLogP2.18
TPSA75.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
CID 40519790
1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519801
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 18582507
1-[1-(2-methoxyethyl)indol-3-yl]-3-(thiophen-2-ylmethyl)urea
CID 18582459
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 16803764
ethyl 4-[[1-(2-methoxyethyl)indol-3-yl]carbamoylamino]benzoate
CID 40519874
N-[1-(2-methoxyethyl)indol-3-yl]-4-methylpiperidine-1-carboxamide
CID 18582430
4-formyl-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 40519785
1-ethyl-3-[1-(2-methoxyethyl)indol-3-yl]-1-(2-methylphenyl)urea
CID 40519863
1-benzyl-1-butyl-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519751
4-(furan-2-carbonyl)-N-[1-(2-methoxyethyl)indol-3-yl]piperazine-1-carboxamide
CID 18582437
1-(2-methoxyethyl)-N-(4-oxo-1H-pyridin-3-yl)indole-3-carboxamide
CID 71883345

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea?
The IUPAC name of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea (CID 40519808) is 1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea?
The canonical SMILES for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea is COCCn1cc(NC(=O)NC(C)(C)CO)c2ccccc21.
What is the InChIKey of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea?
The InChIKey is CPOBUGUJYXZGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,11-20)18-15(21)17-13-10-19(8-9-22-3)14-7-5-4-6-12(13)14/h4-7,10,20H,8-9,11H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea?
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea has a molecular weight of 305.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea is sourced from PubChem (CID 40519808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).