1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea

C15H21N3O2 — CID 40519790

IUPAC1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
SMILESCOCCn1cc(NC(=O)NC(C)C)c2ccccc21
InChIInChI=1S/C15H21N3O2/c1-11(2)16-15(19)17-13-10-18(8-9-20-3)14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H2,16,17,19)
InChIKeyJMKDSVSPRDDONI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.82
Rot. Bonds5

About 1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea

1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea (PubChem CID 40519790) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
PubChem CID40519790
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea
SMILESCOCCn1cc(NC(=O)NC(C)C)c2ccccc21
InChIInChI=1S/C15H21N3O2/c1-11(2)16-15(19)17-13-10-18(8-9-20-3)14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H2,16,17,19)
InChIKeyJMKDSVSPRDDONI-UHFFFAOYSA-N
XLogP2.82
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-hydroxypropyl]-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519801
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methoxyethyl)indol-3-yl]urea
CID 40519808
1-[1-(2-methoxyethyl)indol-3-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 16803764
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
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-[1-(4-phenylphenyl)propan-2-yl]indole-3-carboxamide
CID 167919547

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea (CID 40519790) is 1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea is COCCn1cc(NC(=O)NC(C)C)c2ccccc21.
What is the InChIKey of 1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea?
The InChIKey is JMKDSVSPRDDONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)16-15(19)17-13-10-18(8-9-20-3)14-7-5-4-6-12(13)14/h4-7,10-11H,8-9H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea?
1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea has a molecular weight of 275.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)indol-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 40519790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).