2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid

C18H18N2O3 — CID 22141437

IUPAC2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid
SMILESCc1[nH]c2cc(OCCNC(=O)O)ccc2c1-c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-12-17(13-5-3-2-4-6-13)15-8-7-14(11-16(15)20-12)23-10-9-19-18(21)22/h2-8,11,19-20H,9-10H2,1H3,(H,21,22)
InChIKeyQKCJORNXUJGKLY-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.79
Rot. Bonds5

About 2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid

2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid (PubChem CID 22141437) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid
PubChem CID22141437
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid
SMILESCc1[nH]c2cc(OCCNC(=O)O)ccc2c1-c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-12-17(13-5-3-2-4-6-13)15-8-7-14(11-16(15)20-12)23-10-9-19-18(21)22/h2-8,11,19-20H,9-10H2,1H3,(H,21,22)
InChIKeyQKCJORNXUJGKLY-UHFFFAOYSA-N
XLogP3.79
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine
CID 10291800
1-[2-[(2,3-dimethyl-1H-indol-6-yl)oxy]ethylamino]ethanol
CID 160532929
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 5296029
5-methoxy-2-methyl-3-phenyl-1H-indole
CID 11564934
2-(4-acetylphenoxy)ethylcarbamic acid
CID 69331429
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482
N-ethyl-2-[[7-[2-(ethylamino)ethoxy]-9H-carbazol-2-yl]oxy]ethanamine
CID 57439411
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
3-(3,4-dichlorophenoxy)propylcarbamic acid
CID 89477736
3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112974161
2-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]oxyethylcarbamic acid
CID 150441026
2-[6-[2-[N-(2-hydroxyethyl)-2-(methanesulfonamido)anilino]ethoxy]-2-methyl-1H-indol-3-yl]acetic acid
CID 66911897

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid?
The IUPAC name of 2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid (CID 22141437) is 2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid.
What is the SMILES notation for 2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid?
The canonical SMILES for 2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid is Cc1[nH]c2cc(OCCNC(=O)O)ccc2c1-c1ccccc1.
What is the InChIKey of 2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid?
The InChIKey is QKCJORNXUJGKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-17(13-5-3-2-4-6-13)15-8-7-14(11-16(15)20-12)23-10-9-19-18(21)22/h2-8,11,19-20H,9-10H2,1H3,(H,21,22).
What are the key properties of 2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid?
2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid has a molecular weight of 310.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-phenyl-1H-indol-6-yl)oxy]ethylcarbamic acid is sourced from PubChem (CID 22141437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).