N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide

C28H28N2O2 — CID 155137344

IUPACN-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NCc1ccc(CNC(=O)C2Cc3ccccc3C2)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C28H28N2O2/c31-27(25-13-21-5-1-2-6-22(21)14-25)29-17-19-9-11-20(12-10-19)18-30-28(32)26-15-23-7-3-4-8-24(23)16-26/h1-12,25-26H,13-18H2,(H,29,31)(H,30,32)
InChIKeyLCYMSNCDQBOZJL-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.75
Rot. Bonds6

About N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide

N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 155137344) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID155137344
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC NameN-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(NCc1ccc(CNC(=O)C2Cc3ccccc3C2)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C28H28N2O2/c31-27(25-13-21-5-1-2-6-22(21)14-25)29-17-19-9-11-20(12-10-19)18-30-28(32)26-15-23-7-3-4-8-24(23)16-26/h1-12,25-26H,13-18H2,(H,29,31)(H,30,32)
InChIKeyLCYMSNCDQBOZJL-UHFFFAOYSA-N
XLogP3.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide with MolForge

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106703935
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106892179
methyl 4-[(1,2,3,4-tetrahydronaphthalene-2-carbonylamino)methyl]benzoate
CID 51355167
N-[(4-hydroxyphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 115577899
(3R)-N-benzyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 9243365
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24705541
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112527808
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
(3S)-N-(furan-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97275381
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide (CID 155137344) is N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide is O=C(NCc1ccc(CNC(=O)C2Cc3ccccc3C2)cc1)C1Cc2ccccc2C1.
What is the InChIKey of N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is LCYMSNCDQBOZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c31-27(25-13-21-5-1-2-6-22(21)14-25)29-17-19-9-11-20(12-10-19)18-30-28(32)26-15-23-7-3-4-8-24(23)16-26/h1-12,25-26H,13-18H2,(H,29,31)(H,30,32).
What are the key properties of N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 155137344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).