N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide

C26H28N4O2 — CID 11618803

IUPACN-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cccc(CCNC(=O)NC2CCc3cc(C(=O)Nc4ccccc4N)ccc32)c1
InChIInChI=1S/C26H28N4O2/c1-17-5-4-6-18(15-17)13-14-28-26(32)30-23-12-10-19-16-20(9-11-21(19)23)25(31)29-24-8-3-2-7-22(24)27/h2-9,11,15-16,23H,10,12-14,27H2,1H3,(H,29,31)(H2,28,30,32)
InChIKeyIROAVKUMROVSPQ-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.36
Rot. Bonds6

About N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide

N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 11618803) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID11618803
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cccc(CCNC(=O)NC2CCc3cc(C(=O)Nc4ccccc4N)ccc32)c1
InChIInChI=1S/C26H28N4O2/c1-17-5-4-6-18(15-17)13-14-28-26(32)30-23-12-10-19-16-20(9-11-21(19)23)25(31)29-24-8-3-2-7-22(24)27/h2-9,11,15-16,23H,10,12-14,27H2,1H3,(H,29,31)(H2,28,30,32)
InChIKeyIROAVKUMROVSPQ-UHFFFAOYSA-N
XLogP4.36
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329887
3-2,3-dihydro-1H-inden-5-yl-1-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329897
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-2-naphthamide
CID 25105704
9-Oxo-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-9H-fluorene-4-carboxamide
CID 25105705
N-(2-aminophenyl)-4-(1-{[4-(ethylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25010550
N-(2-aminophenyl)-4-(1-{[4-(methylcarbamoyl)phenyl]methyl}piperidin-4-yl)benzamide
CID 25023859
CID 53481919
CID 53481919
1-phenyl-3-[[(2S)-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]urea
CID 56673798
N-(2-aminophenyl)-4-((1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzamide
CID 9924842
N-{2-[3-(2,6-Diisopropyl-phenyl)-ureido]-1-phenyl-ethyl}-4-methyl-benzamide
CID 10027132
N-[2-(dimethylcarbamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 10983506
N-(2-Dimethylaminophenyl)-9-oxo-9H-fluorene-1-carboxamide
CID 11645855

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide (CID 11618803) is N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide is Cc1cccc(CCNC(=O)NC2CCc3cc(C(=O)Nc4ccccc4N)ccc32)c1.
What is the InChIKey of N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is IROAVKUMROVSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-17-5-4-6-18(15-17)13-14-28-26(32)30-23-12-10-19-16-20(9-11-21(19)23)25(31)29-24-8-3-2-7-22(24)27/h2-9,11,15-16,23H,10,12-14,27H2,1H3,(H,29,31)(H2,28,30,32).
What are the key properties of N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide?
N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.36, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-[2-(3-methylphenyl)ethylcarbamoylamino]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 11618803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).