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

C14H19N3O — CID 75385727

IUPAC1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-10(2)16-14(18)15-8-7-12-9-11-5-3-4-6-13(11)17-12/h3-6,9-10,17H,7-8H2,1-2H3,(H2,15,16,18)
InChIKeyINZPHRKRPXOLFP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.42
Rot. Bonds4

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

1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea (PubChem CID 75385727) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea
PubChem CID75385727
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-10(2)16-14(18)15-8-7-12-9-11-5-3-4-6-13(11)17-12/h3-6,9-10,17H,7-8H2,1-2H3,(H2,15,16,18)
InChIKeyINZPHRKRPXOLFP-UHFFFAOYSA-N
XLogP2.42
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460
3-[2-(1H-indol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
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1-[2-(1H-indol-2-yl)ethyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 97096512
1-[2-(1H-indol-2-yl)ethyl]-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]urea
CID 71913106
1-[2-(1H-indol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 6456936
1-[2-(1H-indol-2-yl)ethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 71913118
3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
4-(1H-indol-2-yl)butan-2-one
CID 10954278
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
CID 146440140
1-[2-(1H-indol-2-yl)ethyl]-3-[(3-phenoxyphenyl)methyl]urea
CID 167843223
methyl (2S)-2-[2-(1H-indol-2-yl)ethylamino]butanoate
CID 124625235
N-[2-(1H-indol-2-yl)ethyl]methanesulfonamide
CID 20598528

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea (CID 75385727) is 1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCc1cc2ccccc2[nH]1.
What is the InChIKey of 1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is INZPHRKRPXOLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)16-14(18)15-8-7-12-9-11-5-3-4-6-13(11)17-12/h3-6,9-10,17H,7-8H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea?
1-[2-(1H-indol-2-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 245.33 g/mol, XLogP of 2.42, 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-propan-2-ylurea is sourced from PubChem (CID 75385727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).