1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea

C21H25N3O2 — CID 60613753

IUPAC1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-15(2)14-22-21(26)23-18-9-7-16(8-10-18)13-20(25)24-12-11-17-5-3-4-6-19(17)24/h3-10,15H,11-14H2,1-2H3,(H2,22,23,26)
InChIKeyPUQBOSYDOVWIRG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.60
Rot. Bonds5

About 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea

1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea (PubChem CID 60613753) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea
PubChem CID60613753
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea
SMILESCC(C)CNC(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-15(2)14-22-21(26)23-18-9-7-16(8-10-18)13-20(25)24-12-11-17-5-3-4-6-19(17)24/h3-10,15H,11-14H2,1-2H3,(H2,22,23,26)
InChIKeyPUQBOSYDOVWIRG-UHFFFAOYSA-N
XLogP3.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 119763740
ethyl 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]-2,3-dihydroxy-4-oxobutanoate
CID 167784622
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 166192642
1-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 119763704
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(2-methylpropyl)benzamide
CID 31934655
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
ethyl 2-[4-[[(1S)-2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]carbamoylamino]phenyl]acetate
CID 92881627
N-(2-methylpropyl)-2,3-dihydroindole-1-carbothioamide
CID 19686661
1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone
CID 71968022
2-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 18133495

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea (CID 60613753) is 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea is CC(C)CNC(=O)Nc1ccc(CC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea?
The InChIKey is PUQBOSYDOVWIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(2)14-22-21(26)23-18-9-7-16(8-10-18)13-20(25)24-12-11-17-5-3-4-6-19(17)24/h3-10,15H,11-14H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea?
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea has a molecular weight of 351.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 60613753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).