1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea

C20H24N4O2 — CID 101398873

IUPAC1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea
SMILESCC1N(CC(=O)NNC(=O)Nc2ccccc2)c2ccccc2C1(C)C
InChIInChI=1S/C20H24N4O2/c1-14-20(2,3)16-11-7-8-12-17(16)24(14)13-18(25)22-23-19(26)21-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,22,25)(H2,21,23,26)
InChIKeyJNWZJHYFUISZMO-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.03
Rot. Bonds3

About 1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea

1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea (PubChem CID 101398873) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea.

Molecular Properties

Compound Name1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea
PubChem CID101398873
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea
SMILESCC1N(CC(=O)NNC(=O)Nc2ccccc2)c2ccccc2C1(C)C
InChIInChI=1S/C20H24N4O2/c1-14-20(2,3)16-11-7-8-12-17(16)24(14)13-18(25)22-23-19(26)21-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,22,25)(H2,21,23,26)
InChIKeyJNWZJHYFUISZMO-UHFFFAOYSA-N
XLogP3.03
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(2,3,3-trimethyl-2H-indol-1-yl)hexanoic acid;hydrobromide
CID 146418024
hexyl 2-(2,3,3-trimethyl-2H-indol-1-yl)acetate;hydrobromide
CID 173098178
1-[[9-oxo-9-[2-(phenylcarbamoyl)hydrazinyl]nonanoyl]amino]-3-phenylurea
CID 3123939
1-(octanoylamino)-3-phenylurea
CID 5130887
1-[[2-(1-methylpyrrol-2-yl)acetyl]amino]-3-phenylurea
CID 1225228
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540742
1-[[2-(4-methoxyphenyl)acetyl]amino]-3-phenylurea
CID 968636
1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea
CID 732370
1-[[2-(4-nitrophenyl)acetyl]amino]-3-phenylurea
CID 4074557
N-phenyl-2-[(2S,5S)-2,4,5-trimethyl-3,6-dioxopiperazin-1-yl]acetamide
CID 165423803
N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
CID 2377822
4-oxo-N-phenyl-4-(2-propanoylhydrazinyl)butanamide
CID 3140697

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea?
The IUPAC name of 1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea (CID 101398873) is 1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea.
What is the SMILES notation for 1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea?
The canonical SMILES for 1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea is CC1N(CC(=O)NNC(=O)Nc2ccccc2)c2ccccc2C1(C)C.
What is the InChIKey of 1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea?
The InChIKey is JNWZJHYFUISZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-20(2,3)16-11-7-8-12-17(16)24(14)13-18(25)22-23-19(26)21-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,22,25)(H2,21,23,26).
What are the key properties of 1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea?
1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea has a molecular weight of 352.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[[2-(2,3,3-trimethyl-2H-indol-1-yl)acetyl]amino]urea is sourced from PubChem (CID 101398873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).