N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide

C25H26N4O2 — CID 11509884

IUPACN-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCN(C(=O)NC1CCc2cc(C(=O)Nc3ccccc3N)ccc21)c1ccccc1
InChIInChI=1S/C25H26N4O2/c1-2-29(19-8-4-3-5-9-19)25(31)28-22-15-13-17-16-18(12-14-20(17)22)24(30)27-23-11-7-6-10-21(23)26/h3-12,14,16,22H,2,13,15,26H2,1H3,(H,27,30)(H,28,31)
InChIKeyDWGHIUUCQJEGKL-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.74
Rot. Bonds5

About N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide

N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 11509884) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID11509884
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCN(C(=O)NC1CCc2cc(C(=O)Nc3ccccc3N)ccc21)c1ccccc1
InChIInChI=1S/C25H26N4O2/c1-2-29(19-8-4-3-5-9-19)25(31)28-22-15-13-17-16-18(12-14-20(17)22)24(30)27-23-11-7-6-10-21(23)26/h3-12,14,16,22H,2,13,15,26H2,1H3,(H,27,30)(H,28,31)
InChIKeyDWGHIUUCQJEGKL-UHFFFAOYSA-N
XLogP4.74
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide (CID 11509884) is N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide is CCN(C(=O)NC1CCc2cc(C(=O)Nc3ccccc3N)ccc21)c1ccccc1.
What is the InChIKey of N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is DWGHIUUCQJEGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-2-29(19-8-4-3-5-9-19)25(31)28-22-15-13-17-16-18(12-14-20(17)22)24(30)27-23-11-7-6-10-21(23)26/h3-12,14,16,22H,2,13,15,26H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide?
N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-1-[[ethyl(phenyl)carbamoyl]amino]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 11509884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).