[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium

C18H30N3O2+ — CID 8768691

IUPAC[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
SMILESCc1ccccc1CCNC(=O)C[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-14-8-6-7-9-15(14)10-11-19-16(22)12-21(5)13-17(23)20-18(2,3)4/h6-9H,10-13H2,1-5H3,(H,19,22)(H,20,23)/p+1
InChIKeyPJRGWKNTFHPDLQ-UHFFFAOYSA-O
MW320.46 g/mol
LogP0.08
Rot. Bonds7

About [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium

[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium (PubChem CID 8768691) has the molecular formula C18H30N3O2+ and a molecular weight of 320.46 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
PubChem CID8768691
Molecular FormulaC18H30N3O2+
Molecular Weight320.46 g/mol
Exact Mass320.23
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
SMILESCc1ccccc1CCNC(=O)C[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-14-8-6-7-9-15(14)10-11-19-16(22)12-21(5)13-17(23)20-18(2,3)4/h6-9H,10-13H2,1-5H3,(H,19,22)(H,20,23)/p+1
InChIKeyPJRGWKNTFHPDLQ-UHFFFAOYSA-O
XLogP0.08
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)methyl-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8794486
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8756671
3,4,4-trimethyl-N-[2-(2-methylphenyl)ethyl]pentanamide
CID 86901199
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245
2-(ethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 78912717
1-[2-(2-methylphenyl)ethyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108899727
methyl-[(2-methylphenyl)methyl]-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]azanium
CID 8791084
2-methyl-N-[2-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 46531773
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79763048
3-amino-3-hydroxyimino-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79756212
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium (CID 8768691) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium is Cc1ccccc1CCNC(=O)C[NH+](C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
The InChIKey is PJRGWKNTFHPDLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H29N3O2/c1-14-8-6-7-9-15(14)10-11-19-16(22)12-21(5)13-17(23)20-18(2,3)4/h6-9H,10-13H2,1-5H3,(H,19,22)(H,20,23)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium has a molecular weight of 320.46 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8768691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).