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

C25H29N3O2 — CID 45275125

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESNCc1cccc(CN(CC2CCCCC2)C(=O)C(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H29N3O2/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/h4-6,9-13,15,18,27H,1-3,7-8,14,16-17,26H2
InChIKeyXOFYYNSZEAJSML-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.42
Rot. Bonds7

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

N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 45275125) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID45275125
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESNCc1cccc(CN(CC2CCCCC2)C(=O)C(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C25H29N3O2/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/h4-6,9-13,15,18,27H,1-3,7-8,14,16-17,26H2
InChIKeyXOFYYNSZEAJSML-UHFFFAOYSA-N
XLogP4.42
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 42778803
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
ethyl 2-[cyclohexyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetate
CID 143885849
N-(2-aminoethyl)-N-(naphthalen-2-ylmethyl)-1H-indole-3-carboxamide
CID 10132207
1-[4-(cyclohexylmethoxy)phenyl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 139807213
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one
CID 22265985
N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide
CID 113208765
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide (CID 45275125) is N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide is NCc1cccc(CN(CC2CCCCC2)C(=O)C(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is XOFYYNSZEAJSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/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/h4-6,9-13,15,18,27H,1-3,7-8,14,16-17,26H2.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 403.53 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 45275125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).