2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide

C24H31N3O — CID 91827368

IUPAC2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide
SMILESCCN(CC)c1ccc(CC(=O)NCCCn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C24H31N3O/c1-4-26(5-2)22-13-11-20(12-14-22)18-24(28)25-15-8-16-27-19(3)17-21-9-6-7-10-23(21)27/h6-7,9-14,17H,4-5,8,15-16,18H2,1-3H3,(H,25,28)
InChIKeyNBHMEDLJHJCMEZ-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.54
Rot. Bonds9

About 2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide

2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide (PubChem CID 91827368) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide
PubChem CID91827368
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide
SMILESCCN(CC)c1ccc(CC(=O)NCCCn2c(C)cc3ccccc32)cc1
InChIInChI=1S/C24H31N3O/c1-4-26(5-2)22-13-11-20(12-14-22)18-24(28)25-15-8-16-27-19(3)17-21-9-6-7-10-23(21)27/h6-7,9-14,17H,4-5,8,15-16,18H2,1-3H3,(H,25,28)
InChIKeyNBHMEDLJHJCMEZ-UHFFFAOYSA-N
XLogP4.54
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[3-(2-methylindol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421273
2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4690489
N-[2-(2-methylindol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 5080463
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-(4-hydroxypentyl)-2-(2-methylindol-1-yl)acetamide
CID 107299993
2-methyl-1-tetradecylindole
CID 19869962
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 131925524
4-(diethylamino)-N-[2-[2-(trifluoromethyl)indol-1-yl]ethyl]benzamide
CID 90680590
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680568
3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methyl-1-[2-(2-methylindol-1-yl)ethyl]urea
CID 122561620
1-(4-bromobutyl)-2-methylindole
CID 14785376

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide?
The IUPAC name of 2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide (CID 91827368) is 2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide is CCN(CC)c1ccc(CC(=O)NCCCn2c(C)cc3ccccc32)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide?
The InChIKey is NBHMEDLJHJCMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-4-26(5-2)22-13-11-20(12-14-22)18-24(28)25-15-8-16-27-19(3)17-21-9-6-7-10-23(21)27/h6-7,9-14,17H,4-5,8,15-16,18H2,1-3H3,(H,25,28).
What are the key properties of 2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide?
2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide has a molecular weight of 377.53 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-N-[3-(2-methylindol-1-yl)propyl]acetamide is sourced from PubChem (CID 91827368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).