N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide

C25H31N3O2 — CID 70235809

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide
SMILESNCc1cccc(CN(CC2CCCCC2)C(=O)C(=O)C2CNc3ccccc32)c1
InChIInChI=1S/C25H31N3O2/c26-14-19-9-6-10-20(13-19)17-28(16-18-7-2-1-3-8-18)25(30)24(29)22-15-27-23-12-5-4-11-21(22)23/h4-6,9-13,18,22,27H,1-3,7-8,14-17,26H2
InChIKeySEDZZCNWFMWMAK-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.83
Rot. Bonds7

About N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide

N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 70235809) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide
PubChem CID70235809
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide
SMILESNCc1cccc(CN(CC2CCCCC2)C(=O)C(=O)C2CNc3ccccc32)c1
InChIInChI=1S/C25H31N3O2/c26-14-19-9-6-10-20(13-19)17-28(16-18-7-2-1-3-8-18)25(30)24(29)22-15-27-23-12-5-4-11-21(22)23/h4-6,9-13,18,22,27H,1-3,7-8,14-17,26H2
InChIKeySEDZZCNWFMWMAK-UHFFFAOYSA-N
XLogP3.83
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide (CID 70235809) is N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide is NCc1cccc(CN(CC2CCCCC2)C(=O)C(=O)C2CNc3ccccc32)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is SEDZZCNWFMWMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c26-14-19-9-6-10-20(13-19)17-28(16-18-7-2-1-3-8-18)25(30)24(29)22-15-27-23-12-5-4-11-21(22)23/h4-6,9-13,18,22,27H,1-3,7-8,14-17,26H2.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide?
N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 405.54 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 70235809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).