N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide

C23H27N3O2 — CID 108961978

IUPACN-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
SMILESCc1ccc(CNC(=O)C(C)(C)C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H27N3O2/c1-16-8-10-17(11-9-16)14-26-22(28)23(2,3)21(27)24-13-12-18-15-25-20-7-5-4-6-19(18)20/h4-11,15,25H,12-14H2,1-3H3,(H,24,27)(H,26,28)
InChIKeyNTBDTOAKOMJGGM-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.48
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide

N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide (PubChem CID 108961978) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
PubChem CID108961978
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
SMILESCc1ccc(CNC(=O)C(C)(C)C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C23H27N3O2/c1-16-8-10-17(11-9-16)14-26-22(28)23(2,3)21(27)24-13-12-18-15-25-20-7-5-4-6-19(18)20/h4-11,15,25H,12-14H2,1-3H3,(H,24,27)(H,26,28)
InChIKeyNTBDTOAKOMJGGM-UHFFFAOYSA-N
XLogP3.48
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256233
N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide
CID 108964965
N-[2-(1H-indol-3-yl)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155968
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
5-[2-(1H-indol-3-yl)ethylamino]-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280515
6-[2-(1H-indol-3-yl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369044
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577795
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108978264
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide
CID 23356005

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide (CID 108961978) is N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide is Cc1ccc(CNC(=O)C(C)(C)C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
The InChIKey is NTBDTOAKOMJGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-8-10-17(11-9-16)14-26-22(28)23(2,3)21(27)24-13-12-18-15-25-20-7-5-4-6-19(18)20/h4-11,15,25H,12-14H2,1-3H3,(H,24,27)(H,26,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide?
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide has a molecular weight of 377.49 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108961978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).