[2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate

C23H26N2O4 — CID 175552505

IUPAC[2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate
SMILESCCCC(=O)Oc1c(NC(=O)OC(C)(C)C)[nH]c2c(-c3ccccc3)cccc12
InChIInChI=1S/C23H26N2O4/c1-5-10-18(26)28-20-17-14-9-13-16(15-11-7-6-8-12-15)19(17)24-21(20)25-22(27)29-23(2,3)4/h6-9,11-14,24H,5,10H2,1-4H3,(H,25,27)
InChIKeyQPSDJECQZBWOOQ-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.89
Rot. Bonds5

About [2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate

[2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate (PubChem CID 175552505) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate.

Molecular Properties

Compound Name[2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate
PubChem CID175552505
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate
SMILESCCCC(=O)Oc1c(NC(=O)OC(C)(C)C)[nH]c2c(-c3ccccc3)cccc12
InChIInChI=1S/C23H26N2O4/c1-5-10-18(26)28-20-17-14-9-13-16(15-11-7-6-8-12-15)19(17)24-21(20)25-22(27)29-23(2,3)4/h6-9,11-14,24H,5,10H2,1-4H3,(H,25,27)
InChIKeyQPSDJECQZBWOOQ-UHFFFAOYSA-N
XLogP5.89
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2-amino-4-phenyl-5-propylphenyl)carbamate
CID 91489697
[2-(4-aminophenoxy)-6-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] butanoate
CID 69163314
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenoxyphenyl] propanoate
CID 175485903
(2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylanilino]propanoic acid
CID 68802439
(2R)-3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-[(7-phenyl-1H-indol-3-yl)methyl]propanoic acid
CID 138470166
tert-butyl N-[2-[[2-(hydrazinecarbonyl)-7-phenyl-1H-indol-4-yl]oxy]ethyl]carbamate
CID 141319994
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propanoyloxyphenyl]boronic acid
CID 67270338
tert-butyl N-[3-(2-phenylanilino)propyl]carbamate
CID 113269142
tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
phenyl butanoate
CID 20354
tert-butyl N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamate
CID 157040003
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate?
The IUPAC name of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate (CID 175552505) is [2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate.
What is the SMILES notation for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate?
The canonical SMILES for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate is CCCC(=O)Oc1c(NC(=O)OC(C)(C)C)[nH]c2c(-c3ccccc3)cccc12.
What is the InChIKey of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate?
The InChIKey is QPSDJECQZBWOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-5-10-18(26)28-20-17-14-9-13-16(15-11-7-6-8-12-15)19(17)24-21(20)25-22(27)29-23(2,3)4/h6-9,11-14,24H,5,10H2,1-4H3,(H,25,27).
What are the key properties of [2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate?
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate has a molecular weight of 394.47 g/mol, XLogP of 5.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-phenyl-1H-indol-3-yl] butanoate is sourced from PubChem (CID 175552505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).