1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea

C21H19N3O — CID 6456936

IUPAC1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea
SMILESO=C(NCCc1cc2ccccc2[nH]1)Nc1cccc2ccccc12
InChIInChI=1S/C21H19N3O/c25-21(24-20-11-5-8-15-6-1-3-9-18(15)20)22-13-12-17-14-16-7-2-4-10-19(16)23-17/h1-11,14,23H,12-13H2,(H2,22,24,25)
InChIKeyLXBZSJRDWOROLT-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.69
Rot. Bonds4

About 1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea

1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea (PubChem CID 6456936) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea
PubChem CID6456936
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea
SMILESO=C(NCCc1cc2ccccc2[nH]1)Nc1cccc2ccccc12
InChIInChI=1S/C21H19N3O/c25-21(24-20-11-5-8-15-6-1-3-9-18(15)20)22-13-12-17-14-16-7-2-4-10-19(16)23-17/h1-11,14,23H,12-13H2,(H2,22,24,25)
InChIKeyLXBZSJRDWOROLT-UHFFFAOYSA-N
XLogP4.69
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
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CID 75385727
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 122065768
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea
CID 167843223
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
4-[3-[2-(1H-indol-2-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 75516623
1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea
CID 51686352
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea (CID 6456936) is 1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea is O=C(NCCc1cc2ccccc2[nH]1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea?
The InChIKey is LXBZSJRDWOROLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21(24-20-11-5-8-15-6-1-3-9-18(15)20)22-13-12-17-14-16-7-2-4-10-19(16)23-17/h1-11,14,23H,12-13H2,(H2,22,24,25).
What are the key properties of 1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea?
1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea has a molecular weight of 329.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 6456936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).