(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate

C24H22N2O3 — CID 177382635

IUPAC(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
SMILESCOc1ccc2[nH]cc(CCNC(=O)Oc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C24H22N2O3/c1-28-21-11-12-23-22(15-21)19(16-26-23)13-14-25-24(27)29-20-9-7-18(8-10-20)17-5-3-2-4-6-17/h2-12,15-16,26H,13-14H2,1H3,(H,25,27)
InChIKeyJSWMDCKRCYJPSU-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.17
Rot. Bonds6

About (4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate

(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 177382635) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is (4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
PubChem CID177382635
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
SMILESCOc1ccc2[nH]cc(CCNC(=O)Oc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C24H22N2O3/c1-28-21-11-12-23-22(15-21)19(16-26-23)13-14-25-24(27)29-20-9-7-18(8-10-20)17-5-3-2-4-6-17/h2-12,15-16,26H,13-14H2,1H3,(H,25,27)
InChIKeyJSWMDCKRCYJPSU-UHFFFAOYSA-N
XLogP5.17
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698
phenyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 69217510
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 130246864
2-(3-methoxyphenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733827
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 17171258
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213
[(Z)-3-chlorobut-2-enyl] N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 45109027

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of (4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate (CID 177382635) is (4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for (4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for (4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate is COc1ccc2[nH]cc(CCNC(=O)Oc3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of (4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is JSWMDCKRCYJPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-28-21-11-12-23-22(15-21)19(16-26-23)13-14-25-24(27)29-20-9-7-18(8-10-20)17-5-3-2-4-6-17/h2-12,15-16,26H,13-14H2,1H3,(H,25,27).
What are the key properties of (4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate?
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 386.45 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 177382635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).