[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium

C19H28N3O3+ — CID 148932122

IUPAC[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
SMILESCc1[nH]c2ccccc2c1CCNC(=O)CCCCCCC(=O)N[OH2+]
InChIInChI=1S/C19H27N3O3/c1-14-15(16-8-6-7-9-17(16)21-14)12-13-20-18(23)10-4-2-3-5-11-19(24)22-25/h6-9,21,25H,2-5,10-13H2,1H3,(H,20,23)(H,22,24)/p+1
InChIKeyPMDMZAWCQDPSQQ-UHFFFAOYSA-O
MW346.45 g/mol
LogP2.23
Rot. Bonds10

About [[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium

[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium (PubChem CID 148932122) has the molecular formula C19H28N3O3+ and a molecular weight of 346.45 g/mol. Its IUPAC name is [[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium.

Molecular Properties

Compound Name[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
PubChem CID148932122
Molecular FormulaC19H28N3O3+
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC Name[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
SMILESCc1[nH]c2ccccc2c1CCNC(=O)CCCCCCC(=O)N[OH2+]
InChIInChI=1S/C19H27N3O3/c1-14-15(16-8-6-7-9-17(16)21-14)12-13-20-18(23)10-4-2-3-5-11-19(24)22-25/h6-9,21,25H,2-5,10-13H2,1H3,(H,20,23)(H,22,24)/p+1
InChIKeyPMDMZAWCQDPSQQ-UHFFFAOYSA-O
XLogP2.23
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium with MolForge

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Related Compounds

N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide
CID 167105628
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide
CID 116846510
4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115155288
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762

Frequently Asked Questions

What is the IUPAC name of [[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium?
The IUPAC name of [[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium (CID 148932122) is [[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium.
What is the SMILES notation for [[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium?
The canonical SMILES for [[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium is Cc1[nH]c2ccccc2c1CCNC(=O)CCCCCCC(=O)N[OH2+].
What is the InChIKey of [[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium?
The InChIKey is PMDMZAWCQDPSQQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27N3O3/c1-14-15(16-8-6-7-9-17(16)21-14)12-13-20-18(23)10-4-2-3-5-11-19(24)22-25/h6-9,21,25H,2-5,10-13H2,1H3,(H,20,23)(H,22,24)/p+1.
What are the key properties of [[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium?
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium has a molecular weight of 346.45 g/mol, XLogP of 2.23, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium is sourced from PubChem (CID 148932122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).