N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide

C27H28N2O2 — CID 142086189

IUPACN-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide
SMILESCc1cc(NC(=O)Cc2ccccc2)cc(C)c1Oc1ccc2[nH]cc(C(C)C)c2c1
InChIInChI=1S/C27H28N2O2/c1-17(2)24-16-28-25-11-10-22(15-23(24)25)31-27-18(3)12-21(13-19(27)4)29-26(30)14-20-8-6-5-7-9-20/h5-13,15-17,28H,14H2,1-4H3,(H,29,30)
InChIKeyOBBIXOWDRAREHK-UHFFFAOYSA-N
MW412.53 g/mol
LogP6.88
Rot. Bonds6

About N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide

N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide (PubChem CID 142086189) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide
PubChem CID142086189
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide
SMILESCc1cc(NC(=O)Cc2ccccc2)cc(C)c1Oc1ccc2[nH]cc(C(C)C)c2c1
InChIInChI=1S/C27H28N2O2/c1-17(2)24-16-28-25-11-10-22(15-23(24)25)31-27-18(3)12-21(13-19(27)4)29-26(30)14-20-8-6-5-7-9-20/h5-13,15-17,28H,14H2,1-4H3,(H,29,30)
InChIKeyOBBIXOWDRAREHK-UHFFFAOYSA-N
XLogP6.88
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-2-oxopropanoic acid
CID 22669412
3-[3-chloro-5-methyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]anilino]-2-oxopropanoic acid
CID 22669463
3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]aniline
CID 22669700
3-[3-chloro-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 22669708
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142200859
2-(5-methoxy-1H-indol-3-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113209654
2-amino-N-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142030863
3-fluoro-N-[4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzamide
CID 142086356
ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide
CID 142086448
5-[4-(bromomethyl)-2,6-dichlorophenoxy]-3-propan-2-yl-1H-indole
CID 22669624
2-[3-bromo-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]-5-(trifluoromethyl)anilino]acetic acid
CID 22669387

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide?
The IUPAC name of N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide (CID 142086189) is N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide is Cc1cc(NC(=O)Cc2ccccc2)cc(C)c1Oc1ccc2[nH]cc(C(C)C)c2c1.
What is the InChIKey of N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide?
The InChIKey is OBBIXOWDRAREHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-17(2)24-16-28-25-11-10-22(15-23(24)25)31-27-18(3)12-21(13-19(27)4)29-26(30)14-20-8-6-5-7-9-20/h5-13,15-17,28H,14H2,1-4H3,(H,29,30).
What are the key properties of N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide?
N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide has a molecular weight of 412.53 g/mol, XLogP of 6.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide is sourced from PubChem (CID 142086189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).