N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide

C24H30N4O — CID 37321688

IUPACN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cn3c(C)cc4ccccc43)c(C)c2)CC1
InChIInChI=1S/C24H30N4O/c1-4-26-11-13-27(14-12-26)21-9-10-22(18(2)15-21)25-24(29)17-28-19(3)16-20-7-5-6-8-23(20)28/h5-10,15-16H,4,11-14,17H2,1-3H3,(H,25,29)
InChIKeyNXKMUFNTAMVAQS-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.04
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide (PubChem CID 37321688) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide
PubChem CID37321688
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cn3c(C)cc4ccccc43)c(C)c2)CC1
InChIInChI=1S/C24H30N4O/c1-4-26-11-13-27(14-12-26)21-9-10-22(18(2)15-21)25-24(29)17-28-19(3)16-20-7-5-6-8-23(20)28/h5-10,15-16H,4,11-14,17H2,1-3H3,(H,25,29)
InChIKeyNXKMUFNTAMVAQS-UHFFFAOYSA-N
XLogP4.04
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
N-(4-chloro-2-methylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 4150176
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide
CID 102603576
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868578
2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 34193676
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-fluorophenyl)acetamide
CID 24571040
2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
CID 49364541
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]propanamide
CID 56515304
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide
CID 55615324
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(4-fluorophenyl)propanamide
CID 36565619
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 24571057

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide (CID 37321688) is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide is CCN1CCN(c2ccc(NC(=O)Cn3c(C)cc4ccccc43)c(C)c2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide?
The InChIKey is NXKMUFNTAMVAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-4-26-11-13-27(14-12-26)21-9-10-22(18(2)15-21)25-24(29)17-28-19(3)16-20-7-5-6-8-23(20)28/h5-10,15-16H,4,11-14,17H2,1-3H3,(H,25,29).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide?
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide has a molecular weight of 390.53 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 37321688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).