2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

C23H26BrN3O2 — CID 55818659

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H26BrN3O2/c1-17-23(24)20-5-3-4-6-21(20)27(17)16-22(28)25(2)15-18-7-9-19(10-8-18)26-11-13-29-14-12-26/h3-10H,11-16H2,1-2H3
InChIKeySMTAJUZAJRVOKL-UHFFFAOYSA-N
MW456.38 g/mol
LogP4.21
Rot. Bonds5

About 2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 55818659) has the molecular formula C23H26BrN3O2 and a molecular weight of 456.38 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID55818659
Molecular FormulaC23H26BrN3O2
Molecular Weight456.38 g/mol
Exact Mass455.12
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H26BrN3O2/c1-17-23(24)20-5-3-4-6-21(20)27(17)16-22(28)25(2)15-18-7-9-19(10-8-18)26-11-13-29-14-12-26/h3-10H,11-16H2,1-2H3
InChIKeySMTAJUZAJRVOKL-UHFFFAOYSA-N
XLogP4.21
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 26972821
1-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52660719
2-(3-bromo-2-methylindol-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 55813717
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55713133
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24551831
3-(furan-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013135
N-[2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789328
3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 38949614
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide
CID 26972711
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]benzamide
CID 134013164
2-(3-bromo-2-methylindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 78901896

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (CID 55818659) is 2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is Cc1c(Br)c2ccccc2n1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is SMTAJUZAJRVOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O2/c1-17-23(24)20-5-3-4-6-21(20)27(17)16-22(28)25(2)15-18-7-9-19(10-8-18)26-11-13-29-14-12-26/h3-10H,11-16H2,1-2H3.
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 456.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 55818659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).