N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide

C22H36N6O4 — CID 146535745

IUPACN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
SMILESCNN(C)Cc1cc2ccccc2n1CCC(=O)NCC(=O)NCCOCCOCCN
InChIInChI=1S/C22H36N6O4/c1-24-27(2)17-19-15-18-5-3-4-6-20(18)28(19)10-7-21(29)26-16-22(30)25-9-12-32-14-13-31-11-8-23/h3-6,15,24H,7-14,16-17,23H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyMHYALRCXSZGBAA-UHFFFAOYSA-N
MW448.57 g/mol
LogP-0.18
Rot. Bonds16

About N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide

N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide (PubChem CID 146535745) has the molecular formula C22H36N6O4 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
PubChem CID146535745
Molecular FormulaC22H36N6O4
Molecular Weight448.57 g/mol
Exact Mass448.28
IUPAC NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide
SMILESCNN(C)Cc1cc2ccccc2n1CCC(=O)NCC(=O)NCCOCCOCCN
InChIInChI=1S/C22H36N6O4/c1-24-27(2)17-19-15-18-5-3-4-6-20(18)28(19)10-7-21(29)26-16-22(30)25-9-12-32-14-13-31-11-8-23/h3-6,15,24H,7-14,16-17,23H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyMHYALRCXSZGBAA-UHFFFAOYSA-N
XLogP-0.18
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H-Indole-1-acetamide, N-cyclohexyl-2-methyl-
CID 3074829
2-methyl-N-[2-(2-methylindol-1-yl)ethyl]propanamide
CID 3335282
N-[2-(2-methylindol-1-yl)ethyl]propanamide
CID 4652371
1H-Indole-1-acetamide, 2-methyl-N-propyl-
CID 381968
2-(2-Methyl-1H-indol-1-yl)-N-(2-methylpropyl)ethanimidic acid
CID 381969
1H-Indole-1-acetamide, 2-methyl-N-(phenylmethyl)-
CID 3074834
2,2-dimethyl-N-[2-(2-methyl-1H-indol-1-yl)ethyl]propanamide
CID 4162506
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
N-(2-methoxyethyl)-1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxamide
CID 16033218
N-cyclopropyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
CID 155512765
N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
CID 155525035
N-cyclopentyl-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
CID 155539433

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
The IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide (CID 146535745) is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide.
What is the SMILES notation for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
The canonical SMILES for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide is CNN(C)Cc1cc2ccccc2n1CCC(=O)NCC(=O)NCCOCCOCCN.
What is the InChIKey of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
The InChIKey is MHYALRCXSZGBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N6O4/c1-24-27(2)17-19-15-18-5-3-4-6-20(18)28(19)10-7-21(29)26-16-22(30)25-9-12-32-14-13-31-11-8-23/h3-6,15,24H,7-14,16-17,23H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide?
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide has a molecular weight of 448.57 g/mol, XLogP of -0.18, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-2-oxoethyl]-3-[2-[[methyl(methylamino)amino]methyl]indol-1-yl]propanamide is sourced from PubChem (CID 146535745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).